L-Phenylalaninamide, L-seryl-N-[2-(4-fluoro-3-nitrophenyl)ethyl]-

Base Information

Chemical Name:L-Phenylalaninamide, L-seryl-N-[2-(4-fluoro-3-nitrophenyl)ethyl]-
CAS No.:185394-01-8
Molecular Formula:C20H23FN4O5
Molecular Weight:418.425
Hs Code.:
DSSTox Substance ID:DTXSID10447043
Wikidata:Q82265817
Mol file:185394-01-8.mol

Synonyms:L-Phenylalaninamide, L-seryl-N-[2-(4-fluoro-3-nitrophenyl)ethyl]-;185394-01-8;DTXSID10447043

Suppliers and Price of L-Phenylalaninamide, L-seryl-N-[2-(4-fluoro-3-nitrophenyl)ethyl]-

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
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price

Total 1 raw suppliers

Chemical Property of L-Phenylalaninamide, L-seryl-N-[2-(4-fluoro-3-nitrophenyl)ethyl]-

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:418.16524801
Heavy Atom Count:30
Complexity:582

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)NCCC2=CC(=C(C=C2)F)[N+](=O)[O-])NC(=O)C(CO)N
Isomeric SMILES:C1=CC=C(C=C1)C[C@@H](C(=O)NCCC2=CC(=C(C=C2)F)[N+](=O)[O-])NC(=O)[C@H](CO)N

Technology Process of L-Phenylalaninamide, L-seryl-N-[2-(4-fluoro-3-nitrophenyl)ethyl]-

There total 6 articles about L-Phenylalaninamide, L-seryl-N-[2-(4-fluoro-3-nitrophenyl)ethyl]- 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%

: 185393-98-0
((S)-2-(tert-Butyl-dimethyl-silanyloxy)-1-{(S)-1-[2-(4-fluoro-3-nitro-phenyl)-ethylcarbamoyl]-2-phenyl-ethylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester

: 185394-01-8
(S)-2-Amino-N-{(S)-1-[2-(4-fluoro-3-nitro-phenyl)-ethylcarbamoyl]-2-phenyl-ethyl}-3-hydroxy-propionamide

Guidance literature:: With hydrogenchloride; In acetonitrile;

Reference yield:

: (S)-2-Amino-N-[2-(4-fluoro-3-nitro-phenyl)-ethyl]-3-phenyl-propionamide

: 185394-01-8
(S)-2-Amino-N-{(S)-1-[2-(4-fluoro-3-nitro-phenyl)-ethylcarbamoyl]-2-phenyl-ethyl}-3-hydroxy-propionamide

Guidance literature:: Multi-step reaction with 2 steps

1: 68 percent / EDC; HOBt; Et₃N / CH₂Cl₂ / 8 h / 20 °C

2: 93 percent / HCl / acetonitrile / 1 h / 20 °C

With hydrogenchloride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; In dichloromethane; acetonitrile;
DOI:10.1021/ja0170807

Reference yield:

: 2-(3'-nitro-4'-fluoro)phenylethylamine hydrochloride

: 185394-01-8
(S)-2-Amino-N-{(S)-1-[2-(4-fluoro-3-nitro-phenyl)-ethylcarbamoyl]-2-phenyl-ethyl}-3-hydroxy-propionamide

Guidance literature:: Multi-step reaction with 4 steps

1: 85 percent / Et₃N; EDC; HOBt / CH₂Cl₂; dimethylformamide / 15 h / 20 °C

2: conc. HCl / acetonitrile / 2 h / 20 °C

3: 68 percent / EDC; HOBt; Et₃N / CH₂Cl₂ / 8 h / 20 °C

4: 93 percent / HCl / acetonitrile / 1 h / 20 °C

With hydrogenchloride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; In dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/ja0170807