CID 14752958

Base Information

• Chemical Name: CID 14752958
• CAS No.: 24593-59-7
• Molecular Formula: C27H31N3O8S2
• Molecular Weight: 589.69
• Mol file: 24593-59-7.mol

Synonyms:

Chemical Property of CID 14752958

Chemical Property:

• Vapor Pressure: 3.24E-31mmHg at 25°C
• Melting Point: 146-149 °C
• Boiling Point: 856.1°Cat760mmHg
• Flash Point: 471.6°C
• PSA: 206.50000
• Density: g/cm³
• LogP: 6.36820
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 417.13584202
• Heavy Atom Count: 29
• Complexity: 473

Purity/Quality:

99% ^*data from raw suppliers

(S)-Benzyl2-amino-3-(1H-imidazol-4-yl)propanoatebis(4-methylbenzenesulfonate) 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CC2=CN=CN2)N
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)[C@H](CC2=CN=CN2)N

Technology Process of CID 14752958

There total 3 articles about CID 14752958 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: 93.0%

L-histidine monohydrochloride (645-35-2) + toluene-4-sulfonic acid (104-15-4) + benzyl alcohol (100-51-6,185532-71-2) → L-histidine benzyl ester di-para-toluene sulfonate (24593-59-7)

Guidance literature:

In chloroform; for 30h; Heating;

Reference yield: 82.0%

toluene-4-sulfonic acid (104-15-4) + L-histidine (71-00-1) + benzyl alcohol (100-51-6,185532-71-2) → L-histidine benzyl ester di-para-toluene sulfonate (24593-59-7)

Guidance literature:

In chloroform; for 30h; Reflux;

DOI:10.1016/j.ejmech.2010.01.004

Reference yield:

L-histidine (71-00-1) → L-histidine benzyl ester di-para-toluene sulfonate (24593-59-7)

Guidance literature:

With chloroform; benzyl alcohol;

DOI:10.1246/bcsj.31.784

upstream raw materials:

L-histidine monohydrochloride

toluene-4-sulfonic acid

benzyl alcohol

L-histidine

Downstream raw materials:

(S)-2-{(S)-2-[(S)-2-((2S,3R)-3-Benzyloxy-2-tert-butoxycarbonylamino-butyrylamino)-propionylamino]-4-methyl-pentanoylamino}-3-(1H-imidazol-4-yl)-propionic acid benzyl ester

(S)-2-[(S)-2-((S)-2-tert-Butoxycarbonylamino-propionylamino)-4-methyl-pentanoylamino]-3-(1H-imidazol-4-yl)-propionic acid benzyl ester

(S)-2-((S)-2-tert-Butoxycarbonylamino-4-methyl-pentanoylamino)-3-(1H-imidazol-4-yl)-propionic acid benzyl ester

Refernces

• 1、 Jones, J.H.,Wood, M.E.. "L-HISTIDINE BENZYL ESTER". . p. 1515 - 1516. Retrieved 2007/10/02.