CID 10980445

Base Information

• Chemical Name: CID 10980445
• CAS No.: 35858-81-2
• Molecular Formula: C18H18N2O2^.HCl
• Molecular Weight: 330.814
• Hs Code.: 2933990090
• Mol file: 35858-81-2.mol

Synonyms:

Chemical Property of CID 10980445

Chemical Property:

• Vapor Pressure: 9.59E-10mmHg at 25°C
• Melting Point: 71-72oC
• Boiling Point: 489.9 °C at 760 mmHg
• Flash Point: 250.1 °C
• PSA: 68.11000
• Density: 1.247g/cm3
• LogP: 4.28340
• Storage Temp.: 2-8°C
• Solubility.: Soluble in methanol (50 mg/mL in MeOH).
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 330.1135055
• Heavy Atom Count: 23
• Complexity: 368

Purity/Quality:

99% ^*data from raw suppliers

L-Tryptophan benzyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)[NH3+].[Cl-]
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+].[Cl-]
• Uses: L-Tryptophan Benzyl Ester Hydrochloride, can be used in chemical biology and drug discovery and preparation of small molecule inhibitors that target protein-protein interaction in the RAD51 Family of Recombinases.

Technology Process of CID 10980445

There total 1 articles about CID 10980445 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:

(3RS)-oxindolyl-L-alanine (674286-79-4,13083-62-0) + benzyl alcohol (100-51-6,185532-71-2) → L-tryptophan benzyl ester hydrochloride (35858-81-2,22839-16-3)

Guidance literature:

With hydrogenchloride; toluene-4-sulfonic acid; p-toluenesulfonyl chloride; Yield given. Multistep reaction;

DOI:10.1021/jo00149a024

upstream raw materials:

(3RS)-oxindolyl-L-alanine

benzyl alcohol

Refernces