3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester
- Product Name
- 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester
- CAS No.
- 938063-63-9
- Chemical Name
- 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester
- Synonyms
- butanoyL;DMB-S-MMP;Methyl 3-(2;3-((2,2-dimethyL;)thio)propanoate;2-diMethylbutanoylthio)propanoate;Alphatwo Methylisobutyryl-S-Methyl propionate;α-Dimethylbutyryl-S-methyl mercaptopropionate;Methyl 3-((2,2-diMethylbutanoyl)thio)propanoate;Methyl 3-[(2,2-dimethylbutanoyl)sulfanyl]propanoate
- CBNumber
- CB42546522
- Molecular Formula
- C10H18O3S
- Formula Weight
- 218.31
- MOL File
- 938063-63-9.mol
3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester Property
- Boiling point:
- 281℃
- Density
- 1.048
- vapor pressure
- 0.495Pa at 25℃
- Flash point:
- 119℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- InChI
- InChI=1S/C10H18O3S/c1-5-10(2,3)9(12)14-7-6-8(11)13-4/h5-7H2,1-4H3
- InChIKey
- OSAXTZWRAGDRFI-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)CCSC(=O)C(C)(C)CC
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H317May cause an allergic skin reaction
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P272Contaminated work clothing should not be allowed out of the workplace.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.
P363Wash contaminated clothing before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- M224590
- Product name
- Methyl3-(2,2-Dimethylbutanoylthio)propanoate
- Packaging
- 10mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- 282327
- Product name
- Methyl 3-[[[2-[
- Packaging
- 500mg
- Price
- $326
- Updated
- 2021/12/16
- Product number
- 164902
- Product name
- Methyl 3-[2-
- Packaging
- 10mg
- Price
- $425
- Updated
- 2021/12/16
- Product number
- M3402-11
- Product name
- Methyl 3-[[[2-[
- Packaging
- 1mg
- Price
- $602
- Updated
- 2021/12/16
- Product number
- 188884
- Product name
- Methyl 3-(2,2-dimethylbutanoylthio)propanoate
- Packaging
- 10g
- Price
- $166
- Updated
- 2021/12/16
3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester Chemical Properties,Usage,Production
Chemical Properties
Colorless liquid
Uses
3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl esteri belongs to the class of fatty acyl thioesters，it used as reagent in organic synthesis.
Synthesis
2935-90-2
5856-77-9
938063-63-9
To the reaction vessel was added 40 g of 2,2-dimethylbutyryl chloride followed by dropwise addition of 250 ml of dichloromethane and stirred for 15 minutes. After stirring was completed, 15% ice brine was added to the reactor jacket for cooling treatment. When the temperature in the reaction vessel was reduced to 10 °C, 25 g of methyl 3-mercaptopropionate was added and stirring was continued. The temperature was further reduced to induce the reaction of 2,2-dimethylbutyryl chloride with methyl 3-mercaptopropionate to form methyl 3-[(2,2-dimethyl-1-oxobutyl)thio]propionate and hydrogen chloride. When the temperature of the substance in the reaction vessel was reduced to 0°C, ammonia was passed into the reaction vessel until the pH of the reaction system reached 7, and the passage of ammonia was stopped. The reaction mixture was then heated to 65°C and maintained for 1.8 hours to allow the ammonia to react with the hydrogen chloride to form ammonium chloride, thereby promoting completion of the reaction. Upon completion of the reaction, 100 ml of water was added to the reaction vessel and stirred for 30 minutes to ensure that the hydrogen chloride was fully dissolved in water. Afterwards, it was left to stand for 4.5 hours to stratify the liquid. After layering, the aqueous and organic layers were separated and the aqueous layer was an aqueous solution of ammonium chloride. The aqueous layer can be directly transferred or collected to recover the ammonium chloride. Recovery of dichloromethane by distillation gave 55 g of crude product. The crude product was dissolved in 300 ml of ethanol, heated to dissolve and decolorized with activated carbon. The solution was then concentrated and kept at 5°C for 2 hours to give 52 g of the mixture. The mixture was filtered and washed with 78 g of dichloromethane and dried to give a final product of 48.8 g of methyl 3-[(2,2-dimethyl-1-oxobutyl)thio]propionate in 98.4% yield and >99.0% purity.
References
[1] Patent: CN105837482, 2016, A. Location in patent: Paragraph 0031-0034; 0036-0038; 0040-0042; 0044-0046
[2] Patent: US9399785, 2016, B2. Location in patent: Page/Page column 23
3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester Suppliers
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- Product
- 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester 938063-63-9
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1ton
- Release date
- 2022-10-09
- Product
- Dimethylbutyryl-S-Methyl Mercaptopropionate 938063-63-9
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 200MT/year
- Release date
- 2024-12-03
- Product
- 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester 938063-63-9
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-11