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
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
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.
N-Bromosuccinimide Price
- 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
- 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
- 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
- Product number
- D493313
- Product name
- 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- CS-W022266
- Product name
- 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione
- Packaging
- 1g
- Price
- $79
- Updated
- 2021/12/16
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
2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE Suppliers
- Tel
- 03-36680489
- Fax
- 03-3668-0520
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- Country
- Japan
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- 28387
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- 80
View Lastest Price from 2-(3-METHYLBUTYRYL)-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE manufacturers
- 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
- 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
- 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