4-Cyano-N-(naphthalene-1-sulfonyl)-L-phenylalanine

Base Information

Chemical Name:4-Cyano-N-(naphthalene-1-sulfonyl)-L-phenylalanine
CAS No.:80852-44-4
Molecular Formula:C₂₀H₁₆N₂O₄S
Molecular Weight:380.424
Hs Code.:
DSSTox Substance ID:DTXSID60555586

Synonyms:80852-44-4;4-Cyano-N-(naphthalene-1-sulfonyl)-L-phenylalanine;DTXSID60555586

Suppliers and Price of 4-Cyano-N-(naphthalene-1-sulfonyl)-L-phenylalanine

Supply Marketing:

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

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Chemical Property of 4-Cyano-N-(naphthalene-1-sulfonyl)-L-phenylalanine

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:380.08307817
Heavy Atom Count:27
Complexity:670

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CC3=CC=C(C=C3)C#N)C(=O)O
Isomeric SMILES:C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N[C@@H](CC3=CC=C(C=C3)C#N)C(=O)O

Technology Process of 4-Cyano-N-(naphthalene-1-sulfonyl)-L-phenylalanine

There total 2 articles about 4-Cyano-N-(naphthalene-1-sulfonyl)-L-phenylalanine 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: 50.5%

: 85-46-1
1-Naphthalenesulfonyl chloride

: 80852-36-4
4-Cyanphenylalaninhydrochlorid

: 80852-44-4
Nα-(1-Naphthylsulfonyl)-4-cyanphenylalanin

Guidance literature:: With potassium hydroxide; In diethyl ether; water; for 20h; Ambient temperature;

Reference yield:

: 85-46-1
1-Naphthalenesulfonyl chloride

: 52117-01-8
N-acetyl-4-cyano-α-(ethoxycarbonyl)phenylalanine ethyl ester

: 4-[2-Carboxy-2-(naphthalene-1-sulfonylamino)-ethyl]-benzoic acid

: 80852-44-4
Nα-(1-Naphthylsulfonyl)-4-cyanphenylalanin

Guidance literature:: Multistep reaction;

Reference yield:

: 80852-44-4
Nα-(1-Naphthylsulfonyl)-4-cyanphenylalanin

: 80852-75-1
3-(4-Cyano-phenyl)-N-cyclohexyl-2-(naphthalene-1-sulfonylamino)-propionamide

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 1 h / Heating

2: 96 percent / benzene / 1.5 h / Ambient temperature

With thionyl chloride; In benzene;