4-Phenylisovaline

Base Information

• Chemical Name: 4-Phenylisovaline
• CAS No.: 132502-98-8
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• DSSTox Substance ID: DTXSID701272378
• Nikkaji Number: J740.382H

Synonyms:4-Phenylisovaline;DTXSID701272378;132502-98-8;(alphaR)-alpha-Amino-alpha-methylbenzenebutanoic acid

Chemical Property of 4-Phenylisovaline

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC1=CC=CC=C1)(C(=O)O)N
• Isomeric SMILES: C[C@@](CCC1=CC=CC=C1)(C(=O)O)N

Technology Process of 4-Phenylisovaline

There total 3 articles about 4-Phenylisovaline 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%

(R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-4-phenylbutanoic acid (960060-25-7) → D-Cα-methyl-homo-phenylalanine (132502-98-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1002/anie.200702086

Reference yield:

(R)-2-Amino-2-methyl-4-phenyl-butyramide (149951-93-9) → D-Cα-methyl-homo-phenylalanine (132502-98-8)

Guidance literature:

With hydrogenchloride; at 90 ℃; for 72h;

DOI:10.1021/jo00243a049

Reference yield:

2-Amino-2-methyl-4-phenyl-butyramide (113563-57-8) → D-Cα-methyl-homo-phenylalanine (132502-98-8)

Guidance literature:

Multi-step reaction with 2 steps

2: 6 N HCl / 72 h / 90 °C

With hydrogenchloride;

DOI:10.1021/jo00243a049

upstream raw materials:

(R)-2-Amino-2-methyl-4-phenyl-butyramide

2-Amino-2-methyl-4-phenyl-butyramide

(R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-4-phenylbutanoic acid

Downstream raw materials:

(R)-2-Amino-2-methyl-4-phenyl-butyric acid methyl ester

(R)-2-((S)-2-Benzyloxycarbonylamino-3-tert-butoxycarbonyl-propionylamino)-2-methyl-4-phenyl-butyric acid methyl ester

(R)-2-((S)-2-Benzyloxycarbonylamino-3-carboxy-propionylamino)-2-methyl-4-phenyl-butyric acid methyl ester

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