Ethyl 3-sulfanylvalinate--hydrogen chloride (1/1)

Base Information

• Chemical Name: Ethyl 3-sulfanylvalinate--hydrogen chloride (1/1)
• CAS No.: 63474-91-9
• Molecular Formula: C7H15NO2S
• Molecular Weight: 177.2645
• DSSTox Substance ID: DTXSID20512211
• NSC Number: 144288

Synonyms:63474-91-9;Ethyl 3-sulfanylvalinate--hydrogen chloride (1/1);DTXSID20512211;NSC144288;NSC-144288

Chemical Property of Ethyl 3-sulfanylvalinate--hydrogen chloride (1/1)

Chemical Property:

• Vapor Pressure: 0.0754mmHg at 25°C
• Boiling Point: 227.9°Cat760mmHg
• Flash Point: 91.7°C
• Density: 1.069g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 213.0590276
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(C)(C)S)N.Cl

Technology Process of Ethyl 3-sulfanylvalinate--hydrogen chloride (1/1)

There total 1 articles about Ethyl 3-sulfanylvalinate--hydrogen chloride (1/1) 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:

ethanol (64-17-5) + 3,3-dimethyl-D-cysteine (52-67-5) → ethyl ester of (S)-penicillamine (63474-91-9)

Guidance literature:

With hydrogenchloride;

Reference yield:

ethyl ester of (S)-penicillamine (63474-91-9) + 5-Nitrosalicylaldehyde (97-51-8) → (2R,4S)-2-(2-Hydroxy-5-nitro-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid ethyl ester (81057-39-8) + (2S,4S)-2-(2-Hydroxy-5-nitro-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid ethyl ester (81057-37-6)

Guidance literature:

With sodium acetate; In ethanol; for 3h; Title compound not separated from byproducts; Ambient temperature;

Reference yield:

ethyl ester of (S)-penicillamine (63474-91-9) + 5-chlorosalicyclaldehyde (635-93-8) → (2R,4S)-2-(5-Chloro-2-hydroxy-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid ethyl ester (81057-38-7) + (2S,4S)-2-(5-Chloro-2-hydroxy-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid ethyl ester (81066-52-6)

Guidance literature:

With sodium acetate; In ethanol; for 3h; Title compound not separated from byproducts; Ambient temperature;

upstream raw materials:

ethanol

3,3-dimethyl-D-cysteine

Downstream raw materials:

(2R,4S)-2-(2-Hydroxy-5-nitro-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid ethyl ester

(2S,4S)-2-(2-Hydroxy-5-nitro-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid ethyl ester

(2R,4S)-3-(2-Chloro-acetyl)-2-(2-hydroxy-5-nitro-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid ethyl ester

(2S,4S)-3-(2-Chloro-acetyl)-2-(2-hydroxy-5-nitro-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid ethyl ester

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