CID 7359029

Base Information

• Chemical Name: CID 7359029
• CAS No.: 5191-80-0
• Molecular Formula: C16H17 N O2 S
• Molecular Weight: 287.382
• Hs Code.: 2930909090
• Mol file: 5191-80-0.mol

Synonyms:

Chemical Property of CID 7359029

Chemical Property:

• Vapor Pressure: 4.34E-09mmHg at 25°C
• Melting Point: 206-207℃ (decomposition)
• Boiling Point: 455.5°Cat760mmHg
• Flash Point: 229.3°C
• PSA: 88.62000
• Density: 1.24g/cm³
• LogP: 3.62140
• Storage Temp.: Store at RT.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 287.09799996
• Heavy Atom Count: 20
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

S-Diphenylmethyl-L-cysteine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(C(=O)[O-])[NH3+]
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)SC[C@@H](C(=O)[O-])[NH3+]
• Uses: The S-diphenylmethyl group is one of the most effective S-protecting groups for cysteine.

Technology Process of CID 7359029

There total 2 articles about CID 7359029 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: 94.0%

1,1-Diphenylmethanol (91-01-0) + L-Cysteine (52-90-4) → S-diphenylmethyl-L-cysteine (5191-80-0)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 0.5h;

DOI:10.1039/b212270g

Reference yield:

l-cysteine hydrochloride (52-89-1) + diphenylchloromethane (90-99-3) → S-diphenylmethyl-L-cysteine (5191-80-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1002/jps.2600500408

Reference yield: 88.0%

di-tert-butyl dicarbonate (24424-99-5) + S-diphenylmethyl-L-cysteine (5191-80-0) → N-(t-butyloxycarbonyl)-S-(diphenylmethyl)-L-cysteine (21947-97-7)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; Ambient temperature;

DOI:10.1016/S0040-4020(01)81664-1

upstream raw materials:

l-cysteine hydrochloride

diphenylchloromethane

1,1-Diphenylmethanol

L-Cysteine

Downstream raw materials:

S-benzhydryl-L-cysteine methyl ester

N-Formyl-S-diphenyl-methyl-L-cystein

N-(t-butyloxycarbonyl)-S-(diphenylmethyl)-L-cysteine

S-Diphenylmethyl-N-acetyl-L-cystein

Refernces

• 1、 Baldwin, Jack E.,Bradley, Mark,Abbott, Shaun D.,Adlington, Robert M.. "NEW PENICILLINS FROM ISOPENICILLIN N SYNTHASE.". . p. 5309 - 5328. Retrieved 2007/10/02.