ChemicalBook > CAS DataBase List > 2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE

2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE

Product Name: 2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE
CAS No.: 172611-72-2
Chemical Name: 2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE
Synonyms: DDIV;DMAB-OH, Ivdde-OH;2-ISOVALERYLDIMEDONE;2-(1-Hydroxy-3-methylbutylidene)dimedone;2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE;5,5-DIMETHYL-2-(3-METHYLBUTYRYL)-1,3-CYCLOHEXANEDIONE;5,5-diMethyl-2-(3-Methylbutanoyl)cyclohexane-1,3-dione;2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethyl-1,3-cyclohexanedione;2-(1-hydroxy-3-Methylbutylidene)-5,5-diMethylcyclohexane-1,3-dione;1,3-Cyclohexanedione, 2-(1-hydroxy-3-methylbutylidene)-5,5-dimethyl-
CBNumber: CB7126602
Molecular Formula: C13H20O3
Formula Weight: 224.3
MOL File: 172611-72-2.mol

Less

2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE Property

Boiling point:: 330.2±42.0 °C(Predicted)
Density: 1.027 g/mL at 20 °C(lit.)
refractive index: n20/D 1.498
storage temp.: Store at room temperature
pka: 4.50±1.00(Predicted)
form: clear liquid
color: Colorless to Light yellow to Light orange
BRN: 3275155
InChI: InChI=1S/C13H20O3/c1-8(2)5-9(14)12-10(15)6-13(3,4)7-11(12)16/h8,14H,5-7H2,1-4H3
InChIKey: RIEWTRDZPSOAHC-UHFFFAOYSA-N
SMILES: C1(=O)CC(C)(C)CC(=O)/C/1=C(/O)\CC(C)C

Less

Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
WGK Germany: 3
F: 10
HS Code: 2914.29.5000

Less

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Less

N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 09655
Product name: 2-(3-Methylbutyryl)-5,5-dimethyl-1,3-cyclohexandione
Purity: ≥99.0% (GC)
Packaging: 5ml
Price: $328
Updated: 2025/07/31

TCI Chemical

Product number: H1546
Product name: 2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethyl-1,3-cyclohexanedione
Purity: >98.0%(GC)
Packaging: 1g
Price: $97
Updated: 2025/07/31

TCI Chemical

Product number: H1546
Product name: 2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethyl-1,3-cyclohexanedione
Purity: >98.0%(GC)
Packaging: 5g
Price: $291
Updated: 2025/07/31

TRC

Product number: D493313
Product name: 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione
Packaging: 50mg
Price: $45
Updated: 2021/12/16

ChemScene

Product number: CS-W022266
Product name: 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione
Packaging: 1g
Price: $79
Updated: 2021/12/16

Less

2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE Chemical Properties,Usage,Production

Uses

2-(3-Methylbutyryl)-5,5-dimethyl-1,3-cyclohexandione is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.

Synthesis

925913-20-8

172611-72-2

N-(ivDde)-D-serine (Structure C) was synthesized in the following steps: first, the target product was generated by the O-acylation of D-serine with ivDde-OH catalyzed by pyridine, followed by rearrangement. This was done as follows: a solution of isovaleryl chloride (13.5 mL, 13.3 g, 110 mmol) in dichloromethane (50 mL) was added dropwise to a solution of dichloromethane (150 mL) containing isoprene (14 g, 100 mmol) and pyridine (9.7 mL, 9.5 g, 120 mmol) over 15 min. The reaction mixture was stirred for 1.5 hours and then washed sequentially with aqueous 2N hydrochloric acid (2 x 50 mL), water and saturated aqueous sodium bicarbonate (50 mL), followed by drying with magnesium sulfate. The solvent was removed under vacuum by rotary evaporator to afford 5,5-dimethyl-3-oxocyclohex-1-enyl 3-methylbutyrate (22.4 g, 100% yield) as a light yellow oil. Next, a dichloromethane solution of 5,5-dimethyl-3-oxocyclohex-1-enyl 3-methylbutyrate (11.2 g, 50 mmol) was added dropwise to a dichloromethane (100 mL) suspension of aluminum chloride (16.0 g, 120 mmol) cooled in an ice bath, with dropwise time controlled at 30 minutes. The reaction mixture was then warmed to room temperature and stirred for 1 hour. The reaction mixture was slowly poured into a mixture of pre-cooled 37% aqueous hydrochloric acid (50 mL) and ice (150 g), maintaining the temperature at no more than 5°C. After addition of brine (200 mL), the product was extracted with dichloromethane (6 x 50 mL) and extraction completeness was confirmed by TLC. The combined organic phases were washed with brine (2 x 50 mL), dried over magnesium sulfate, and concentrated by rotary evaporator. The crude product was purified by silica gel column chromatography using a gradient elution from hexane to ethyl acetate:hexane (1:10) to afford ivDde-OH (10.5 g, 94% yield) as a light yellow oil.

References

[1] Patent: US2007/37963, 2007, A1. Location in patent: Page/Page column 12; Figure 6

2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE Preparation Products And Raw materials

Raw materials

Preparation Products

Less

2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE Suppliers

Americas 1 Canada 1 China 110 Europe 1 India 9 Japan 1 Switzerland 1 United Kingdom 1 United States 17 Global 142

Hygeia (Chengdu) pharmaceutical technique Co., Ltd

Tel: 028-84502008 13568869383
Fax: 028-66476329
Email: sales@hygeiapharm.com
Country: China
ProdList: 296
Advantage: 55

Wuhan Ruilida Biomedical Technology Co., Ltd.

Tel: 18201884268
Email: magean83@163.com
Country: China
ProdList: 1960
Advantage: 58

Chengdu Yontinotech Co.,Ltd

Tel: 028-86293627 15228898511
Fax: 028-86293627
Email: sales@yontinotech.com
Country: China
ProdList: 106
Advantage: 56

Noventek Pharmaceutical Technology Co.,Ltd

Tel: 0555-8220886
Email: sales@noventekpharm.com
Country: China
ProdList: 176
Advantage: 58

Xi'an Sunriver Biotech Ltd.

Tel: 13991954170
Email: info@sunriverbio.com
Country: China
ProdList: 183
Advantage: 58

TCI (Shanghai) Development Co., Ltd.

Tel: 021-67121386
Fax: 021-67121385
Email: Sales-CN@TCIchemicals.com
Country: China
ProdList: 24529
Advantage: 81

Beijing Ouhe Technology Co., Ltd

Tel: 010-010-82967028 13522913783
Fax: +86-10-82967029
Email: 2355560935@qq.com
Country: China
ProdList: 12000
Advantage: 60

JinYan Chemicals(ShangHai) Co.,Ltd.

Tel: 13817811078
Fax: 86-021-50426522,50426273
Email: sales@jingyan-chemical.com
Country: China
ProdList: 9976
Advantage: 60

Adamas Reagent, Ltd.

Tel: 400-6009262 16621234537
Fax: 021-64823266
Email: chenyj@titansci.com
Country: China
ProdList: 14101
Advantage: 59

Nanjing Chemlin Chemical Co., Ltd

Tel: 025-83697070
Fax: +86-25-83453306
Email: info@chemlin.com.cn
Country: China
ProdList: 16077
Advantage: 64

skychemical Co.Ltd

Tel: 021-20958197 20965099
Fax: 021-20960837
Email: sales@skychemical.com
Country: China
ProdList: 1183
Advantage: 57

Aloespharm Co., Ltd.

Tel: 021-20960837
Fax: 021-20960837
Email: market@aloespharm.com
Country: China
ProdList: 1302
Advantage: 55

Shanghai Balmxy Pharmaceutical Co., Ltd

Tel: 021-24206007 13764915196
Fax: 86-021-23027023
Email: sales@balmxy.com
Country: China
ProdList: 6874
Advantage: 55

Shanghai HuanChuan Industry Co.,Ltd.

Tel: 021-61478794
Fax: 021-61478794
Email: sales@hcshhai.com
Country: China
ProdList: 9793
Advantage: 50

Sigma-Aldrich

Tel: 021-61415566 800-8193336
Email: orderCN@merckgroup.com
Country: China
ProdList: 51395
Advantage: 80

Hubei Chuangliankangcheng Pharmaceutical Co., Ltd.

Tel: 027-65388397 18164111589
Fax: 027-65388397
Email: 3321478047@qq.com
Country: China
ProdList: 2007
Advantage: 55

skychemical Co.Ltd

Tel: 021-20960837,QQ1332204249
Fax: 021-20960837
Email: sales@skychemical.com
Country: China
ProdList: 3341
Advantage: 55

Shanghai GL Peptide Ltd.

Tel: +86-21-61263340; 17609490614 13764994101
Fax: 021-61263399
Email: fisherwang@glschina.com
Country: China
ProdList: 8258
Advantage: 55

Shanghai YuanYe Biotechnology Co., Ltd.

Tel: 021-61312847; 18021002903
Fax: QQ:3008007432
Email: 3008007409@qq.com
Country: China
ProdList: 71826
Advantage: 60

Shanghai Changyan Chem & Tech Co., Ltd.

Tel: 021-20242659 18930833303
Fax: +86 (21) 2024-2659
Email: Sales@changyanchem.cn
Country: China
ProdList: 5001
Advantage: 55

Wuxi Asia Peptide Biotechnology Limited Company

Tel: 0510-83583050 13771062561
Fax: 0510-83583039
Email: willsun@peptide-search.com
Country: China
ProdList: 6716
Advantage: 58

Amadis Chemical Company Limited

Tel: 571-89925085
Fax: 0086-571-89925065
Email: sales@amadischem.com
Country: China
ProdList: 131957
Advantage: 58

Amatek Scientific Co. Ltd.

Tel: 0512-56316828
Fax: 0512-56316826
Email: info@amateksci.com
Country: China
ProdList: 28785
Advantage: 58

Capot Chemical Co.,Ltd.

Tel: +86-（0）57185586718; +8613336195806
Fax: +86-571-85864795
Email: sales@capot.com
Country: China
ProdList: 29735
Advantage: 60

Aikon International Limited

Tel: 025-66061636 18013972705
Fax: (3)02557626880
Email: qqyang@aikonchem.com
Country: China
ProdList: 15814
Advantage: 58

Bejing Famous Pharmaceutical Technology Co., Ltd.

Tel: 13331045123
Fax: 86-10-80339217
Email: 2559355526@qq.com
Country: China
ProdList: 14193
Advantage: 58

Nanjing NingFan Pharm-Tech CO. LTD.

Tel: 17368696818
Country: China
ProdList: 1984
Advantage: 58

Shanghai Haohong Pharmaceutical Co., Ltd.

Tel: 400-8210725 400821072
Fax: 021-58955996
Email: malulu@leyan.com
Country: China
ProdList: 25000
Advantage: 58

Tianjin heowns Biochemical Technology Co., Ltd.

Tel: 400-6387771-6039 18920764717
Email: sales@heowns.com
Country: China
ProdList: 23771
Advantage: 60

Shanghai Anyinuo Biomedical Technology Co., Ltd.

Tel: 021-34625901 18018851262;
Email: 420970979@qq.com
Country: China
ProdList: 5894
Advantage: 58

Shanghai Jizhi Biochemical Technology Co. Ltd.

Tel: 4009004166/18616739031 18616739031
Email: 3007523370@qq.com
Country: China
ProdList: 52687
Advantage: 58

Aishilun biotechnology (Shanghai) co., LTD

Tel: 021-50676523 18019098996
Email: info@acelybio.com
Country: China
ProdList: 3960
Advantage: 58

Suzhou Rovathin Foreign Trade Co.,Ltd

Tel: 0512-65816829 18662214788
Fax: 0512-65816829
Email: info@rovathin.com.cn
Country: China
ProdList: 9987
Advantage: 58

Kanghua (Shanghai) New Drug Development Co., Ltd.

Tel: 021-61263370 18901917034
Email: xingli@glbiochem.com
Country: China
ProdList: 5637
Advantage: 58

Shanghai Jifeng Biotechnology Co., Ltd.

Tel: 021-61263377 15023907684
Fax: 021-61263399
Email: 15800684150@163.com
Country: China
ProdList: 8131
Advantage: 58

GL Biochem (Shanghai) Ltd.

Tel: +86-021-61263370 +86-18901917034
Country: CHINA
ProdList: 3904
Advantage: 58

Hefei TNJ Chemical Industry Co.,Ltd.

Tel: +86-0551-65418684 +8618949823763
Fax: 0086-551-65418684
Email: sales@tnjchem.com
Country: China
ProdList: 25356
Advantage: 58

Labnetwork lnc.

Tel: +86-27-50766799 +8618062016861
Email: contact@labnetwork.com
Country: China
ProdList: 19987
Advantage: 58

Nextpeptide Inc

Tel: +86-0571-81612335 +8613336028439
Email: sales@nextpeptide.com
Country: China
ProdList: 19908
Advantage: 58

GL Biochem(Binhai) Ltd.

Tel: +86-021-61263370 +8615301650015
Email: wuqiuyan@glschina.com
Country: China
ProdList: 2975
Advantage: 58

Lu'an Jianuo Biochemical Technology Co., Ltd.

Tel: 0564-3619988 18056418988
Fax: 0564-3619988
Email: 549945567@qq.com
Country: China
ProdList: 98
Advantage: 58

Shanghai Lanle Bird Industrial Co., Ltd.

Tel: 15021845385
Email: 765325601@qq.com
Country: China
ProdList: 3609
Advantage: 58

Binhai gill polypeptide co. LTD

Tel: 021-61263389 13524856427
Fax: WeChat630417570
Email: Joetang@glschina.com
Country: China
ProdList: 10000
Advantage: 58

Shanghai Galedo Biotechnology Co., Ltd.

Tel: 021-61732478 19946252459
Fax: QQ：1072302796
Email: sales@galedo-bio.com
Country: China
ProdList: 1967
Advantage: 58

Shanghai Anhua Biotechnology Co., Ltd.

Tel: 021-61263375 18168859245
Country: China
ProdList: 5958
Advantage: 58

Wuhan Ying Yuan Bei Biological Limited

Tel: 13349903920 13349903920;
Email: 1540154086@qq.com
Country: China
ProdList: 3004
Advantage: 58

Wuxi maimo topp biotechnology co., LTD

Tel: 13771048682 13771048682
Email: linda-fu@mimotopes.cn
Country: China
ProdList: 5796
Advantage: 58

Jiangsu Hongmin Pharmaceutical Co., Ltd.

Tel: 18221292452
Email: fannieliu@glschina.com
Country: China
ProdList: 6798
Advantage: 58

Jiangsu Jitai Peptide Technology Co., Ltd.

Tel: 0515-8085-5066 13770132022
Email: sales05@gtaipeptide.com
Country: China
ProdList: 2675
Advantage: 58

Jiangsu Shengkang Meixiang Technology Co., Ltd.

Tel: 18217475093
Email: 1615396342@qq.com
Country: China
ProdList: 4309
Advantage: 58

Less

View Lastest Price from 2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE manufacturers

Shaanxi Didu New Materials Co. Ltd

Product: DMAB-OH 172611-72-2
Price: US $1.50/g
Min. Order: 1g
Purity: 99.0% Min
Supply Ability: 10 Tons
Release date: 2025-06-24

Shaanxi Dideu Medichem Co. Ltd

Product: 2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethylcyclohexane-1,3-dione 172611-72-2
Price: US $0.10/KG
Min. Order: 1KG
Purity: 99.0%
Supply Ability: 1000Tons
Release date: 2024-08-21

Career Henan Chemical Co

Product: 2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE 172611-72-2
Price: US $6.68/KG
Min. Order: 1KG
Purity: 97%-99%
Supply Ability: 1kg-1000kg
Release date: 2020-01-10

172611-72-2, 2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONERelated Search:

NONANE-4,6-DIONE DDE-OH 2-ACETYL-1,3-CYCLOHEXANEDIONE TRIACETYLMETHANE 2-(HYDROXYMETHYLENE)CYCLOHEXANONE 4,4-DIMETHYL-2,6-DIOXO-CYCLOHEXANECARBALDEHYDE 2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE 2-ACETYLCYCLOHEXANONE 2-ACETYLDIMEDONE

DDIV

5,5-DIMETHYL-2-(3-METHYLBUTYRYL)-1,3-CYCLOHEXANEDIONE

2-ISOVALERYLDIMEDONE

2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE

2-Isovaleryldimedone, 5,5-Dimethyl-2-(3-methylbutyryl)-1,3-cyclohexanedione, Ddiv

5,5-diMethyl-2-(3-Methylbutanoyl)cyclohexane-1,3-dione

2-(1-hydroxy-3-Methylbutylidene)-5,5-diMethylcyclohexane-1,3-dione

2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethyl-1,3-cyclohexanedione

DMAB-OH, Ivdde-OH

1,3-Cyclohexanedione, 2-(1-hydroxy-3-methylbutylidene)-5,5-dimethyl-

2-(1-Hydroxy-3-methylbutylidene)dimedone

2-(1-Hydroxy-3-MethylButylidene)-5,5-Dimethyl-1,3-Cyclohexanedione (ivDde-OH)

2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethylcyclohexane-1,3-di2-one

172611-72-2

Synthetic Reagents

Others

Protecting and Derivatizing Reagents

Protection and Derivatization