(2,4,5-Trichlorophenyl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Base Information

• Chemical Name: (2,4,5-Trichlorophenyl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
• CAS No.: 3065-27-8
• Molecular Formula: C23H18 Cl3 N O4
• Molecular Weight: 478.759
• Hs Code.: 2924299090
• NSC Number: 108699
• Mol file: 3065-27-8.mol

Synonyms:NSC108699;NSC-108699

Chemical Property of (2,4,5-Trichlorophenyl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Chemical Property:

• Vapor Pressure: 5.91E-16mmHg at 25°C
• Boiling Point: 633.5°Cat760mmHg
• Flash Point: 336.9°C
• PSA: 64.63000
• Density: 1.381g/cm³
• LogP: 6.48080
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 477.030141
• Heavy Atom Count: 31
• Complexity: 581

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl)NC(=O)OCC3=CC=CC=C3

Technology Process of (2,4,5-Trichlorophenyl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

There total 5 articles about (2,4,5-Trichlorophenyl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate 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:

ethyl 2-(2,4,5-trichlorophenyl)oxycarbonyloxyimino-2-cyanoacetate + N-Cbz-L-Phe (1161-13-3) → benzyloxycarbonyl-L-phenylalanine 2,4,5-trichlorophenyl ester (3065-27-8)

Guidance literature:

With triethylamine; In ethyl acetate;

Reference yield:

N-Cbz-L-Phe (1161-13-3) + 2,4,5-trichlorophenol (95-95-4) → benzyloxycarbonyl-L-phenylalanine 2,4,5-trichlorophenyl ester (3065-27-8)

Guidance literature:

Multistep reaction; (i) (CF₃CO)2O, benzene, (ii) /BRN= 2222826/, Py;

DOI:10.1246/bcsj.38.1979

Reference yield:

2,4,5-trichlorophenol (95-95-4) → benzyloxycarbonyl-L-phenylalanine 2,4,5-trichlorophenyl ester (3065-27-8)

Guidance literature:

Multi-step reaction with 2 steps

1: quinoline

2: (i), (ii) DCC

With quinoline;

DOI:10.1039/j39670000689

upstream raw materials:

N-Cbz-L-Phe

2,4,5-trichlorophenol

2,4,5-Trichlorophenyl chloroformate

(2,4,5-Trichlorphenyl)-benzyl-carbonat

Downstream raw materials:

Cbz-L-Phe-L-Leu-NH₂

benzyl N-((1S)-2-[(1S)-1-(aminocarbonyl)-3-(methylsulfanyl)propyl]amino-1-benzyl-2-oxoethyl)carbamate

Z-Phe-Val-Sta-Ala-Sta-OCH₃

Z-Phe-Ile-Sta-Ala-Sta-OCH₃

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