L-Cysteine, S-(2-nitrophenyl)-

Base Information

• Chemical Name: L-Cysteine, S-(2-nitrophenyl)-
• CAS No.: 60115-45-9
• Molecular Formula: C9H10 N2 O4 S
• Molecular Weight: 242.25
• DSSTox Substance ID: DTXSID80975545
• Nikkaji Number: J410.489G
• Mol file: 60115-45-9.mol

Synonyms:S-o-nitrophenyl-L-cysteine;S-o-nitrophenyl-L-cysteine, (D)-isomer

Chemical Property of L-Cysteine, S-(2-nitrophenyl)-

Chemical Property:

• Vapor Pressure: 3.32E-08mmHg at 25°C
• Boiling Point: 431.3°C at 760 mmHg
• Flash Point: 214.6°C
• PSA: 134.44000
• Density: 1.47g/cm³
• LogP: 2.32230
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 242.03612798
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

98% ^*data from raw suppliers

(R)-2-Amino-3-((2-nitrophenyl)thio)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SCC(C(=O)O)N
• Isomeric SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SC[C@@H](C(=O)O)N

Technology Process of L-Cysteine, S-(2-nitrophenyl)-

There total 8 articles about L-Cysteine, S-(2-nitrophenyl)- 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: 87.0%

N-acetyl-S-(2-nitro-phenyl)-L-cysteine (91088-54-9) → S-(o-nitrophenyl)-L-cysteine (60115-45-9)

Guidance literature:

With sulfuric acid; In water; for 0.5h; Heating;

DOI:10.1021/jm00148a024

Reference yield: 69.0%

L-Cysteine (52-90-4) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → S-(o-nitrophenyl)-L-cysteine (60115-45-9)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; for 3h; Ambient temperature;

DOI:10.1021/ja00057a007

Reference yield: 60.0%

L-Cysteine (52-90-4) + 2-nitro-aniline (88-74-4) → S-(o-nitrophenyl)-L-cysteine (60115-45-9)

Guidance literature:

With sodium nitrite; Ambient temperature;

DOI:10.1248/cpb.34.1128

upstream raw materials:

N-acetyl-S-(2-nitro-phenyl)-L-cysteine

L-Cysteine

2-nitro-aniline

ortho-nitrofluorobenzene

Downstream raw materials:

S-(2-aminophenyl)-L-cysteine

S-(2-nitrophenyl)-L-cysteine S,S-dioxide

S-(o-nitrophenyl)-N-(carbobenzyloxy)-L-cysteine

(R)-3-((2-aminophenyl)thio)-2-((tert-butoxycarbonyl)amino)propanoic acid

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