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

Base Information

Chemical Name:4-Cyano-N-(4-methylbenzene-1-sulfonyl)-L-phenylalanine
CAS No.:80852-42-2
Molecular Formula:C17H16N2O4S
Molecular Weight:344.391
Hs Code.:
DSSTox Substance ID:DTXSID00555585
Wikidata:Q82436977

Synonyms:80852-42-2;4-Cyano-N-(4-methylbenzene-1-sulfonyl)-L-phenylalanine;DTXSID00555585

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

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

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

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:344.08307817
Heavy Atom Count:24
Complexity:573

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)C#N)C(=O)O
Isomeric SMILES:CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)C#N)C(=O)O

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

There total 2 articles about 4-Cyano-N-(4-methylbenzene-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:

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

: 80852-42-2
N-_α-Tosyl-4-cyanphenylalanin

Guidance literature:: Multi-step reaction with 2 steps

1: HCl, CH₃COOH

2: KOH

With hydrogenchloride; potassium hydroxide; acetic acid;

Reference yield:

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

: 98-59-9
p-toluenesulfonyl chloride

: Nα-Tosyl-4-carboxyphenylalanin

: 80852-42-2
N-_α-Tosyl-4-cyanphenylalanin

Guidance literature:: With hydrogenchloride; potassium hydroxide; Yield given. Multistep reaction. Yields of byproduct given; 1.) acetic acid, 6 h, reflux, 2.) ether, 12 h, r.t.;