Phenylalanine-N-carboxylic acid dimethyl ester

Base Information

• Chemical Name: Phenylalanine-N-carboxylic acid dimethyl ester
• CAS No.: 70288-75-4
• Molecular Formula: C12H15 N O4
• Molecular Weight: 237.255
• Mol file: 70288-75-4.mol

Synonyms:Phenylalanine-N-carboxylic acid dimethyl ester;70288-75-4;methyl 2-(methoxycarbonylamino)-3-phenylpropanoate;SCHEMBL7806984

Chemical Property of Phenylalanine-N-carboxylic acid dimethyl ester

Chemical Property:

• Vapor Pressure: 6.76E-06mmHg at 25°C
• Boiling Point: 377.4°C at 760 mmHg
• Flash Point: 182.1°C
• PSA: 68.12000
• Density: 1.16g/cm³
• LogP: 1.33110
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 237.10010796
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

METHYL (2S)-2-(METHOXYCARBONYLAMINO)-3-PHENYLPROPANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)OC

Technology Process of Phenylalanine-N-carboxylic acid dimethyl ester

There total 4 articles about Phenylalanine-N-carboxylic acid dimethyl ester 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%

methyl (2Z)-2-[(methoxycarbonyl)amino]-3-phenylprop-2-enoate (135517-12-3) → 2-(Methoxycarbonalamino)-3-phenylpropionsaeure-methylester (70288-75-4)

Guidance literature:

With hydrogen; polymer-supported rhodium catalyst; In tetrahydrofuran; for 6h; under 775.743 Torr;

DOI:10.1021/ol005999+

Reference yield: 89.0%

methyl chloroformate (79-22-1) + methyl 2-amino-3-phenylpropanoate hydrochloride (5619-07-8) → 2-(Methoxycarbonalamino)-3-phenylpropionsaeure-methylester (70288-75-4)

Guidance literature:

With sodium carbonate; In water; for 3h; Ambient temperature;

DOI:10.1016/S0040-4020(01)87253-7

Reference yield: 2.4%

methanol (67-56-1) + potassium cyanate (590-28-3) + methyl 2-bromo-3-phenylpropionate (70288-60-7,73136-26-2,124916-61-6,3196-22-3) → 2-(Methoxycarbonalamino)-3-phenylpropionsaeure-methylester (70288-75-4)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 1h;

upstream raw materials:

Phenylalanine

methanol

potassium cyanate

methyl 2-bromo-3-phenylpropionate

Downstream raw materials:

phenylalanine methyl ester hydrochloride

methyl N-carbomethoxy-α,β-didehydrophenylalaninate