CID 11484934

Base Information

• Chemical Name: CID 11484934
• CAS No.: 42854-62-6
• Molecular Formula: C10H13NO2^.C7H8O3S
• Molecular Weight: 351.423
• Hs Code.: 2922499990
• Mol file: 42854-62-6.mol

Synonyms:SCHEMBL21065338

Chemical Property of CID 11484934

Chemical Property:

• Appearance/Colour: Yellowish oil
• Vapor Pressure: 0.0154mmHg at 25°C
• Melting Point: 112-116 °C
• Refractive Index: -5.0 ° (C=3, MeOH)
• Boiling Point: 256.5 °C at 760 mmHg
• Flash Point: 119.6 °C
• PSA: 115.07000
• LogP: 4.09980
• Storage Temp.: 0-6°C
• Solubility.: DMSO, Methanol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 351.11404394
• Heavy Atom Count: 24
• Complexity: 357

Purity/Quality:

98% ^*data from raw suppliers

L-Alanine Benzyl Ester, p-Toluenesulfonic Acid Salt ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 22-24/25-44-35-28-26-7-4

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C(=O)OCC1=CC=CC=C1)[NH3+]
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[C@@H](C(=O)OCC1=CC=CC=C1)[NH3+]

Technology Process of CID 11484934

There total 3 articles about CID 11484934 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: 100.0%

L-alanin (56-41-7,25191-17-7,18875-37-1) + toluene-4-sulfonic acid (104-15-4) + benzyl alcohol (100-51-6,185532-71-2) → L-alanine benzyl ester p-toluenesulfonate (42854-62-6)

Guidance literature:

In benzene; for 10h; Reflux; Inert atmosphere;

DOI:10.1039/c1ob06074k

Reference yield: 88.0%

toluene-4-sulfonic acid (104-15-4) → L-alanine benzyl ester p-toluenesulfonate (42854-62-6)

Guidance literature:

In tetrahydrofuran; at 35 ℃; for 2h;

Reference yield:

H-Ala-OBzl (17831-01-5) + toluene-4-sulfonic acid (104-15-4) → L-alanine benzyl ester p-toluenesulfonate (42854-62-6)

Guidance literature:

In diethyl ether;

DOI:10.2174/157017810790533940

upstream raw materials:

L-alanin

toluene-4-sulfonic acid

benzyl alcohol

H-Ala-OBzl

Downstream raw materials:

N-(O-benzyl-N-benzyloxycarbonyl-L-γ-glutamyl)-L-alanine benzyl ester

N-Pyruvyl-L-alanin

Z-Gly-Ala-OBzl

L-alanine benzyl ester benzophenone imine

Refernces

• 1、 -. "MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS". Paragraph 0308. . Retrieved 2016/05/02.
• 2、 Biondini, Daniele,Brinchi, Lucia,Germani, Raimondo,Goracci, Laura,Savelli, Gianfranco. "Esterification of unprotected a-Amino acids in ionic liquids as the reaction media". experimental part. p. 39 - 44. Retrieved 2010/08/22.