Ethyl 2-mercaptopropionate

Base Information

• Chemical Name: Ethyl 2-mercaptopropionate
• CAS No.: 19788-49-9
• Deprecated CAS: 66707-26-4
• Molecular Formula: C5H10O2S
• Molecular Weight: 134.199
• Hs Code.: 29309090
• European Community (EC) Number: 243-314-5
• UNII: 3I8OLS586D
• DSSTox Substance ID: DTXSID20864904
• Nikkaji Number: J101.165K
• Wikidata: Q27257247
• Metabolomics Workbench ID: 44923
• Mol file: 19788-49-9.mol

Synonyms:Ethyl 2-mercaptopropionate;19788-49-9;Ethyl 2-mercaptopropanoate;Ethyl 2-sulfanylpropanoate;Propanoic acid, 2-mercapto-, ethyl ester;Ethyl thiolactate;2-Mercaptopropionic Acid Ethyl Ester;Propionic acid, 2-mercapto-, ethyl ester;FEMA No. 3279;Ethyl alpha-mercaptopropionate;EINECS 243-314-5;UNII-3I8OLS586D;3I8OLS586D;ethyl mercaptopropionate;Ethyl 2-thiolpropanoate;Ethyl2-mercaptopropanoate;ethyl 2-sulanylpropanoate;ethyl 2-sulfanylpropionate;SCHEMBL1172124;LXXNWCFBZHKFPT-UHFFFAOYSA-;DTXSID20864904;ETHYL-2-MERCAPTOPROPIONATE;CHEBI:173549;MFCD00040233;2-Mercaptopropionic acid, ethyl ester;AKOS005207189;2-MERCAPTOPROPIONIC ACID [FCC];LS-2736;ETHYL .ALPHA.-MERCAPTOPROPIONATE;BS-15879;ETHYL 2-MERCAPTOPROPIONATE [FHFI];Ethyl 2-mercaptopropionate, >=95%, FG;FT-0625751;FT-0626266;M1037;D81899;EN300-102992;(+/-)-2-MERCAPTOPROPIONIC ACID ETHYL ESTER;Q27257247

Chemical Property of Ethyl 2-mercaptopropionate

Chemical Property:

• Vapor Pressure: 1.38mmHg at 25°C
• Refractive Index: n20/D 1.449(lit.)
• Boiling Point: 171.677 °C at 760 mmHg
• PKA: 8.59±0.10(Predicted)
• Flash Point: 57.448 °C
• PSA: 65.10000
• Density: 1.041 g/cm³
• LogP: 0.86780
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 134.04015073
• Heavy Atom Count: 8
• Complexity: 82.5

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-Mercaptopropionate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Statements: 20/21/22-10
• Safety Statements: 16-23-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)S

Technology Process of Ethyl 2-mercaptopropionate

There total 10 articles about Ethyl 2-mercaptopropionate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

ethanol (64-17-5) + 2-mercaptopropanoic acid (79-42-5) → Ethyl 2-mercaptopropionate (19788-49-9)

Guidance literature:

toluene-4-sulfonic acid; for 16h; Heating;

DOI:10.1021/jo00308a028

Reference yield: 94.0%

Ethyl (R,S)-2-(Acetylthio)propionate (129975-20-8) → Ethyl 2-mercaptopropionate (19788-49-9)

Guidance literature:

With palladium diacetate; In methanol; for 1h; Heating;

DOI:10.1080/00397919508011812

Reference yield: 92.0%

2-chloro-propanoic acid, ethyl ester (535-13-7) → Ethyl 2-mercaptopropionate (19788-49-9)

Guidance literature:

With hydrosulfide exchange resin (from Amberlite IRA-400); triethylamine hydrochloride; In methanol; for 3h; Ambient temperature;

DOI:10.1055/s-1995-3929

upstream raw materials:

ethanol

2-mercaptopropanoic acid

thiocarboxamide

Ethyl 2-bromopropionate

Downstream raw materials:

ethyl 2-{[5-anilino-2-(isopropylamino)phenyl]sulfanyl}propanoate

ethyl 2-(5-anilino-2-[(1-methylheptyl)amino]phenylsulfanyl)propanoate

ethyl 2-[(2-hydroxyethyl)thio]propionate

ethyl 2-methyl-4-phenyl butyrate

Refernces

• 1、 Kumar,Jolly. "A thioesterase for chemoselective hydrolysis of S-acyl sulfanylalkanoates.". . p. 283 - 285. Retrieved 2007/10/03.
• 2、 Choi,Yoon. "Direct synthesis of thiols from halides and epoxides using hydrosulfide exchange resin in methanol". . p. 373 - 375. Retrieved 2007/10/02.