3-Amino-2-sulfanylpropanoic acid

Base Information

• Chemical Name: 3-Amino-2-sulfanylpropanoic acid
• CAS No.: 17617-04-8
• Molecular Formula: C3H7NO2S
• Molecular Weight: 121.16
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80447095
• Nikkaji Number: J13.477E
• Mol file: 17617-04-8.mol

Synonyms:3-AMINO-2-SULFANYLPROPANOIC ACID;17617-04-8;3-Amino-2-mercaptopropionic acid;Isocysteine;AGN-PC-0NCA48;SCHEMBL549266;3-amino-mercaptopropionic acid;DTXSID80447095;AKOS006339919

Chemical Property of 3-Amino-2-sulfanylpropanoic acid

Chemical Property:

• PSA: 102.12000
• LogP: 0.02840
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 121.01974964
• Heavy Atom Count: 7
• Complexity: 75.3

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)S)N

Technology Process of 3-Amino-2-sulfanylpropanoic acid

There total 7 articles about 3-Amino-2-sulfanylpropanoic acid 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: 92.0%

l-cysteine hydrochloride (52-89-1) → (+/-)-isocysteine (17617-04-8)

Guidance literature:

In acetone; for 1.5h; Heating / reflux;

Reference yield:

2-oxo-1-oxa-4-thiaspiro <4.4> nonan-3-ylacetic acid (134767-82-1) → (+/-)-isocysteine (17617-04-8)

Guidance literature:

2-oxo-1-oxa-4-thiaspiro <4.4> nonan-3-ylacetic acid; With diphenylphosphoranyl azide; triethylamine; In toluene; at 20 ℃; for 2h;

In toluene; at 85 ℃; Further stages.;

DOI:10.1016/j.bmc.2007.04.059

Reference yield:

2-chloro-β-alanine (77217-11-9) → (+/-)-isocysteine (17617-04-8)

Guidance literature:

With sodium disulfide; water; at 20 ℃; Behandlung des Reaktionsprodukts mit Zinn und wss.HCl;

upstream raw materials:

2-chloro-β-alanine

2-bromo-β-alanine

2,3-dibromopropionic acid

l-cysteine hydrochloride

Refernces

• 1、 -. "DENDRITIC POLYMERS, CROSSLINKED GELS, AND THEIR USES AS OPHTHALMIC SEALANTS AND LENSES". Page/Page column 317. . Retrieved 2010/10/20.