(4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate

Base Information

• Chemical Name: (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate
• CAS No.: 3642-91-9
• Molecular Formula: C17H16N2O6
• Molecular Weight: 344.324
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60399260
• Nikkaji Number: J512.269D
• Mol file: 3642-91-9.mol

Synonyms:(4-nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate;3-[[(Benzyloxy)carbonyl]amino]propanoic acid 4-nitrophenyl ester;SCHEMBL8944353;DTXSID60399260;ZVWBGQBOHVVMEB-UHFFFAOYSA-N;N-carbobenzoxy-beta-alanine-p-nitrophenyl ester;Z-beta-Ala-ONp, purum, >=98.0% (HPLC)

Chemical Property of (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate

Chemical Property:

• PSA: 110.45000
• LogP: 3.59210
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 344.10083623
• Heavy Atom Count: 25
• Complexity: 451

Purity/Quality:

98%Min ^*data from raw suppliers

Z-BETA-ALA-ONP 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36/37/38-43-50
• Safety Statements: 26-36/37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate

There total 2 articles about (4-Nitrophenyl) 3-(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:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 3-(benzyloxycarbonylamino)propanoic acid (2304-94-1) → N-carbobenzoxy-β-alanine-p-nitrophenyl ester (3642-91-9)

Guidance literature:

With dicyclohexyl-carbodiimide; In ethyl acetate;

Reference yield:

→ N-carbobenzoxy-β-alanine-p-nitrophenyl ester (3642-91-9)

Guidance literature:

N-Z-β-Ala, p-Nitro-phenol;

DOI:10.1021/bi00810a015

Reference yield: 92.0%

N-carbobenzoxy-β-alanine-p-nitrophenyl ester (3642-91-9) + 1-amino-4-[(tert-butyloxycarbonyl)amino]butane (68076-36-8) → N4-Boc-N1-(Z-βAla)-tetramethylenediamine (118734-04-6)

Guidance literature:

In acetonitrile; for 20h;

upstream raw materials:

4-nitro-phenol

3-(benzyloxycarbonylamino)propanoic acid

Downstream raw materials:

(S)-2-(3-Benzyloxycarbonylamino-propionylamino)-pentanedioic acid diethyl ester

4-nitro-phenol

2-(dimethylamino)ethyl N-(benzyloxycarbonyl)-3-aminopropionate

N-benzyloxycarbonyl β-alanine acetoxime ester