N-phenylvaline

Base Information

Chemical Name:N-phenylvaline
CAS No.:21671-21-6
Molecular Formula:C11H15NO2
Molecular Weight:193.246
Hs Code.:
DSSTox Substance ID:DTXSID20446401
Nikkaji Number:J781.007E
Wikidata:Q82265030
Mol file:21671-21-6.mol

Synonyms:N-phenylvaline;21671-21-6;(2S)-3-methyl-2-(phenylamino)butanoic acid;(2S)-2-anilino-3-methylbutanoic acid;N-phenyl valine;Phenyl- Valin;N-Phenyl-L-valine;SCHEMBL8745550;DTXSID20446401;MBRPCSKHPRLQQQ-JTQLQIEISA-N;(2S)-3-methyl-2-(phenylamino)butanoicacid;EN300-1132144

Suppliers and Price of N-phenylvaline

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

AK Scientific
N-Phenylvaline
1g
$ 1139.00

Total 3 raw suppliers

Chemical Property of N-phenylvaline

Chemical Property:

Melting Point:118.5-119.0 °C
Boiling Point:366.2±25.0 °C(Predicted)
PSA：49.33000
Density:1.134±0.06 g/cm3(Predicted)
LogP:2.28070
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:193.110278721
Heavy Atom Count:14
Complexity:186

Purity/Quality:

99% ^*data from raw suppliers

N-Phenylvaline ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C(=O)O)NC1=CC=CC=C1
Isomeric SMILES:CC(C)[C@@H](C(=O)O)NC1=CC=CC=C1

Technology Process of N-phenylvaline

There total 12 articles about N-phenylvaline 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: 94.0%

: 591-50-4
iodobenzene

: 72-18-4,25609-85-2,7004-03-7,921-10-8
L-valine

: 21671-21-6
(S)-3-methyl-2-(phenylamino)butanoic acid

Guidance literature:: With caesium carbonate; copper(l) iodide; In dimethyl sulfoxide; at 90 ℃; for 48h;

Reference yield: 93.0%

: 108-86-1,52753-63-6
bromobenzene

: 72-18-4,25609-85-2,7004-03-7,921-10-8
L-valine

: 21671-21-6
(S)-3-methyl-2-(phenylamino)butanoic acid

Guidance literature:: With caesium carbonate; copper(l) iodide; In dimethyl sulfoxide; at 90 ℃; for 48h;

Reference yield: 90.0%

: 72-18-4,25609-85-2,7004-03-7,921-10-8
L-valine

: 108-90-7
chlorobenzene

: 21671-21-6
(S)-3-methyl-2-(phenylamino)butanoic acid

Guidance literature:: With di-tert-butyl{2′-isopropoxy-[1,1′-binaphthalen]-2-yl}phosphane; potassium hydroxide; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tert-butyl alcohol; at 90 ℃; for 20h; Inert atmosphere;
DOI:10.1016/j.tet.2011.09.109