Mecysteine hydrochloride

Base Information

• Chemical Name: Mecysteine hydrochloride
• CAS No.: 5714-80-7
• Molecular Formula: C₄H₁₀NO₂S*Cl
• Molecular Weight: 171.648
• Hs Code.: 2930909090
• European Community (EC) Number: 242-435-0
• UNII: 33RG619160
• DSSTox Substance ID: DTXSID9046520
• Wikidata: Q27256295
• ChEMBL ID: CHEMBL1426508
• Mol file: 5714-80-7.mol

Synonyms:cysteine methyl ester;Cytoclair;mecysteine;mecysteine hydrochloride;mecysteine hydrochloride, (DL)-isomer;mecysteine hydrochloride, (L)-isomer;methyl cysteine;Visclair

Chemical Property of Mecysteine hydrochloride

Chemical Property:

• Melting Point: 175-182 °C
• Boiling Point: 197.2°Cat760mmHg
• Flash Point: 73.1°C
• PSA: 91.12000
• Density: g/cm³
• LogP: 0.91880
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 171.0120774
• Heavy Atom Count: 9
• Complexity: 86.1

Purity/Quality:

99% ^*data from raw suppliers

D-Histidine Methyl Ester Dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CS)N.Cl
• Isomeric SMILES: COC(=O)[C@H](CS)N.Cl

Technology Process of Mecysteine hydrochloride

There total 10 articles about Mecysteine hydrochloride 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: 99.0%

methanol (67-56-1) + D-cysteine hydrochloride monohydrate (52-89-1,2564-82-1,10318-18-0,15855-92-2,32443-99-5,94706-34-0) → D-cysteine methyl ester hydrochloride (5714-80-7,18598-63-5,70361-61-4)

Guidance literature:

With hydrogenchloride; for 22h; Ambient temperature;

DOI:10.1016/S0040-4020(01)89088-8

Reference yield: 94.0%

methanol (67-56-1) + D-cysteine (921-01-7) → D-cysteine methyl ester hydrochloride (5714-80-7,18598-63-5,70361-61-4)

Guidance literature:

With acetyl chloride; at 0 ℃; for 2h; Reflux;

DOI:10.1248/cpb.c14-00578

Reference yield: 85.0%

methanol (67-56-1) + rac-cysteine (921-01-7,3374-22-9,4371-52-2,40143-64-4,40143-66-6,40143-69-9,52-90-4) → cysteine methyl ester hydrochloride (5714-80-7,18598-63-5,70361-61-4)

Guidance literature:

With chloro-trimethyl-silane; at 20 ℃; for 12h;

DOI:10.3390/molecules13051111

upstream raw materials:

methanol

rac-cysteine

D-cysteine

D-cysteine hydrochloride

Downstream raw materials:

(2RS,4S)-2-Phenyl-4-thiazolidin-carbonsaeure-methylester

(2S,5R,7R)-1-aza-7-benzyloxycarbonylamino-8-oxo-4-thiabicyclo<3.3.0>octane-2-carboxylic acid methyl ester

(2S,5R,7S)-1-aza-7-benzyloxycarbonylamino-8-oxo-4-thiabicyclo<3.3.0>octane-2-carboxylic acid methyl ester

(2R,5S,7S)-1-aza-7-benzyloxycarbonylamino-8-oxo-4-thiabicyclo<3.3.0>octane-2-carboxylic acid methyl ester

Refernces

• 1、 Li, Long-Bo,Dan, Wen-Jia,Tan, Fang-Fang,Cui, Li-Hui,Yuan, Zhi-Peng,Wu, Wen-Jun,Zhang, Ji-Wen. "Synthesis and antibacterial activities of Yanglingmycin analogues". . p. 33 - 37. Retrieved 2015/01/30.
• 2、 Li, Jiabo,Sha, Yaowu. "A convenient synthesis of amino acid methyl esters". . p. 1111 - 1119. Retrieved 2008/09/21.