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

More

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

More

Less

Safety

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

More

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.

More

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

More

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

More

Less

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

Americas 1 Canada 1 China 111 Europe 1 India 9 Japan 1 Switzerland 1 United Kingdom 1 United States 17 Global 143

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

Ark Pharm, Inc.

Tel: 847-367-3680
Fax: 847-367-3681
Email: sales@arkpharminc.com
Country: United States
ProdList: 1670
Advantage: 56

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

More

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