Benzyl (S)-[4-[(aminocarbonyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]carbamate

Base Information

Chemical Name:Benzyl (S)-[4-[(aminocarbonyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]carbamate
CAS No.:83575-37-5
Molecular Formula:C20H23 N5 O6
Molecular Weight:429.433
Hs Code.:
European Community (EC) Number:280-492-3
DSSTox Substance ID:DTXSID801003574
Wikidata:Q82998168
Mol file:83575-37-5.mol

Synonyms:N-benzyloxycarbonyl-L-citrulline para-nitroanilide;N-benzyloxycarbonylcitrulline 4-nitroanilide;Z-Cit 4-NPHA

Suppliers and Price of Benzyl (S)-[4-[(aminocarbonyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]carbamate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Nα-CBZ-L-Citrulline-p-nitroanilide
250mg
$ 45.00

Biosynth Carbosynth
Nalpha-CBZ-L-Citrulline-p-nitroanilide
10 g
$ 125.00

Biosynth Carbosynth
Nalpha-CBZ-L-Citrulline-p-nitroanilide
5 g
$ 75.00

Biosynth Carbosynth
Nalpha-CBZ-L-Citrulline-p-nitroanilide
25 g
$ 250.00

AK Scientific
Benzyl(S)-[4-[(aminocarbonyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]carbamate
10g
$ 218.00

Total 6 raw suppliers

Chemical Property of Benzyl (S)-[4-[(aminocarbonyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]carbamate

Chemical Property:

Vapor Pressure:2.94E-21mmHg at 25°C
Melting Point:219 - 220 °C (ethanol)
Boiling Point:731.5°C at 760 mmHg
Flash Point:396.2°C
PSA：168.37000
Density:1.357g/cm³
LogP:4.35510
XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:429.16483347
Heavy Atom Count:31
Complexity:612

Purity/Quality:

99% ^*data from raw suppliers

Nα-CBZ-L-Citrulline-p-nitroanilide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)NC(CCCNC(=O)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES:C1=CC=C(C=C1)COC(=O)N[C@@H](CCCNC(=O)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Benzyl (S)-[4-[(aminocarbonyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]carbamate

There total 1 articles about Benzyl (S)-[4-[(aminocarbonyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]carbamate 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: 28.0%

: 6692-89-3,13594-52-0
N^α-benzyloxy-carbonyl-L-citrulline

: 100-01-6,104810-17-5
4-nitro-aniline

: 83575-38-6
N₁-carbamoyl-3-benzyloxycarbonylamidopiperidin-2-one

: 83575-37-5
Nα-benzyloxycarbonyl-L-citrulline p-nitroanilide

Guidance literature:: With pyridine; phosphorus trichloride; 1.) -20 deg C, 30 min., 2.) room temp., 30 min., 3.) room temp., 3 days;
DOI:10.1016/0040-4020(82)80232-9

Reference yield:

: 83575-37-5
Nα-benzyloxycarbonyl-L-citrulline p-nitroanilide

: 83590-79-8
benzyloxycarbonyl-L-phenylalanyl-L-citrulline p-nitroanilide

Guidance literature:: Multi-step reaction with 2 steps

1: HBr in HOAc / acetic acid / 1.5 h / Ambient temperature

2: 61 percent / triethylamine / dimethylformamide / 18 h / Ambient temperature

With hydrogen bromide; triethylamine; In acetic acid; N,N-dimethyl-formamide;
DOI:10.1016/0040-4020(82)80232-9