- Method for reducing production cost of α-dimethyl butyryl-S-propionic acid methyl ester, China, , ,
Cas no 938063-63-9 (Methyl 3-(2,2-Dimethylbutanoylthio)propanoate)
938063-63-9 structure
Product Name:Methyl 3-(2,2-Dimethylbutanoylthio)propanoate
CAS No:938063-63-9
MF:C10H18O3S
MW:218.313122272491
MDL:MFCD22200648
CID:819827
PubChem ID:44237239
Update Time:2024-10-26
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate Chemical and Physical Properties
Names and Identifiers
-
- 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester
- Methyl 3-(2,2-dimethylbutanoylthio)propanoate
- Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate
- Methyl 3-[(2,2-dimethylbutanoyl)sulfanyl]propanoate
- AK163093
- Methyl 3-[(2,2-dimethylbutanoyl)thio]propanoate
- DMB-S-MMP
- C10H18O3S
- OSAXTZWRAGDRFI-UHFFFAOYSA-N
- dimethylbutyryl-S-methyl mercaptopropionate
- AX8294835
- ST24047755
- X6798
- methyl 3-(2,2-dimethylbutanoylthio)propionate
- 2-dimethylbutanoyl-S-methyl-mercaptopropanoate
- me
- Methyl 3-[(2,2-dimethyl-1-oxobutyl)thio]propanoate (ACI)
- DS-8009
- SCHEMBL1665086
- AKOS024462403
- DTXSID401228003
- 3-((2,2-Dimethyl-1-oxobutyl)thio)-propanoic acid methyl ester
- SY102919
- DB-262028
- NS00001045
- methyl 3-(2,2-dimethylbutanoylsulfanyl)propanoate
- Methyl 3-[(2,2-dimethyl-1-oxobutyl)thio]propanoate
- Methyl3-((2,2-dimethylbutanoyl)thio)propanoate
- 938063-63-9
- CS-0083188
- MFCD22200648
- EC 620-518-6
- Methyl 3-(2,2-Dimethylbutanoylthio)propanoate
-
- MDL: MFCD22200648
- Inchi: 1S/C10H18O3S/c1-5-10(2,3)9(12)14-7-6-8(11)13-4/h5-7H2,1-4H3
- InChI Key: OSAXTZWRAGDRFI-UHFFFAOYSA-N
- SMILES: O=C(CCSC(C(CC)(C)C)=O)OC
Computed Properties
- Exact Mass: 218.09766561g/mol
- Monoisotopic Mass: 218.09766561g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 211
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 68.7
- XLogP3: 2.2
Experimental Properties
- Density: 1.048
- Boiling Point: 281 oC
- Flash Point: 119 oC
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate Security Information
- Signal Word:Warning
- Hazard Statement: H302
- Warning Statement: P280-P305+P351+P338
- Storage Condition:Sealed in dry,Room Temperature(BD291319)
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A343757-1g |
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate |
938063-63-9 | 95% | 1g |
$10.0 | 2025-02-21 | |
| Ambeed | A343757-5g |
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate |
938063-63-9 | 95% | 5g |
$12.0 | 2025-02-21 | |
| Ambeed | A343757-10g |
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate |
938063-63-9 | 95% | 10g |
$21.0 | 2025-02-21 | |
| Ambeed | A343757-25g |
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate |
938063-63-9 | 95% | 25g |
$34.0 | 2025-02-21 | |
| Ambeed | A343757-100g |
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate |
938063-63-9 | 95% | 100g |
$92.0 | 2025-02-21 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-QY404-20g |
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate |
938063-63-9 | 95+% | 20g |
576.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-QY404-5g |
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate |
938063-63-9 | 95+% | 5g |
191.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-QY404-1g |
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate |
938063-63-9 | 95+% | 1g |
60.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-QY404-25g |
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate |
938063-63-9 | 95+% | 25g |
1090CNY | 2021-05-08 | |
| TRC | M224590-5mg |
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate |
938063-63-9 | 5mg |
$ 70.00 | 2022-06-02 |
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate Production Method
Production Method 1
Reaction Conditions
1.1 Solvents: Dichloromethane ; 10 °C → 0 °C
1.2 Reagents: Ammonia ; pH 7, 0 °C; pH 7, 0 °C → 65 °C; 1.8 h, pH 7, 65 °C
1.3 Reagents: Water ; 30 min
1.2 Reagents: Ammonia ; pH 7, 0 °C; pH 7, 0 °C → 65 °C; 1.8 h, pH 7, 65 °C
1.3 Reagents: Water ; 30 min
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Thionyl chloride ; 18 h, 50 °C
Reference
- Method for green synthesizing simvastatin side chain from 2,2-dimethylbutyric acid, China, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Diethyl ether ; 0 °C; 2 h, 0 °C
1.2 Reagents: Ammonium chloride Solvents: Water
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
- Methods and materials for making simvastatin and related compounds, India, , ,
Production Method 4
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Diethyl ether ; 0 °C; 2 h, 0 °C
1.2 Reagents: Ammonium chloride Solvents: Water
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
- Efficient synthesis of simvastatin by use of whole-cell biocatalysisXie, Xinkai; Tang, Yi, Applied and Environmental Microbiology, 2007, 73(7), 2054-2060
Production Method 5
Reaction Conditions
1.1 Reagents: Diisopropylethylamine Solvents: Isopropyl acetate ; 10 min, 2 °C; 2 h, 25 °C
1.2 Reagents: Ammonium chloride Solvents: Water
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
- Improved enzymatic production of simvastatin and it's derivatives using mutant lovD acyltransferases, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
1.1 Reagents: Pyridine Solvents: Tetrahydrofuran ; rt → -10 °C; -10 - -5 °C; 3 - 4 h, -10 °C → 15 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; rt; 2 h, neutralized, 25 - 35 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; rt; 2 h, neutralized, 25 - 35 °C
Reference
- Preparation method of simvastatin side chain, China, , ,
Production Method 7
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Diethyl ether ; 0 °C
1.2 Reagents: Ammonium chloride Solvents: Water
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
- Biosynthesis of simvastatinZhu, Liping; Ren, Yuhong; Sun, Changlei; Zhou, Jianping; Wei, Dongzhi, Shengwu Jiagong Guocheng, 2011, 9(5), 11-16
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate Raw materials
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate Preparation Products
Methyl 3-(2,2-Dimethylbutanoylthio)propanoate Related Literature
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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