N-(4-Cyanophenyl)-L-alpha-glutamine

Base Information

Chemical Name:N-(4-Cyanophenyl)-L-alpha-glutamine
CAS No.:77314-16-0
Molecular Formula:C12H13N3O3
Molecular Weight:247.254
Hs Code.:
DSSTox Substance ID:DTXSID70560808
Wikidata:Q82444409

Synonyms:N-(4-Cyanophenyl)-L-alpha-glutamine;77314-16-0;SCHEMBL9159042;DTXSID70560808

Suppliers and Price of N-(4-Cyanophenyl)-L-alpha-glutamine

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 N-(4-Cyanophenyl)-L-alpha-glutamine

Chemical Property:

XLogP3:-2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:247.09569129
Heavy Atom Count:18
Complexity:353

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)NC(=O)C(CCC(=O)O)N
Isomeric SMILES:C1=CC(=CC=C1C#N)NC(=O)[C@H](CCC(=O)O)N

Technology Process of N-(4-Cyanophenyl)-L-alpha-glutamine

There total 5 articles about N-(4-Cyanophenyl)-L-alpha-glutamine 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: 74.0%

: tert-butoxycarbonyl-α-L-glutamyl-p-cyanoanilide

: 77314-16-0
α-L-glutamyl-p-cyanoanilide

Guidance literature:: With trifluoroacetic acid;
DOI:10.1021/jm00346a013

Reference yield:

: 13574-13-5
Boc-Glu(OBzl)-OH

: 77314-16-0
α-L-glutamyl-p-cyanoanilide

Guidance literature:: Multi-step reaction with 4 steps

1: triethylamine / tetrahydrofuran / 0.25 h / -15 °C

2: triethylamine / tetrahydrofuran / 1.) 0 deg C, 1h, 2.) RT, overnight

3: 63 percent / 1 N aq. NaOH / methanol / 0.5 h / Ambient temperature

4: 74 percent / trifluoroacetic acid

With sodium hydroxide; triethylamine; trifluoroacetic acid; In tetrahydrofuran; methanol;
DOI:10.1021/jm00346a013

Reference yield:

: (S)-4-tert-Butoxycarbonylamino-5-isobutoxycarbonyloxy-5-oxo-pentanoic acid benzyl ester

: 77314-16-0
α-L-glutamyl-p-cyanoanilide

Guidance literature:: Multi-step reaction with 3 steps

1: triethylamine / tetrahydrofuran / 1.) 0 deg C, 1h, 2.) RT, overnight

2: 63 percent / 1 N aq. NaOH / methanol / 0.5 h / Ambient temperature

3: 74 percent / trifluoroacetic acid

With sodium hydroxide; triethylamine; trifluoroacetic acid; In tetrahydrofuran; methanol;
DOI:10.1021/jm00346a013