Carbamic acid, (1-methoxy-2-phenylethyl)-, methyl ester

Base Information

• Chemical Name: Carbamic acid, (1-methoxy-2-phenylethyl)-, methyl ester
• CAS No.: 136354-01-3
• Molecular Formula: C11H15NO3
• Molecular Weight: 209.245
• DSSTox Substance ID: DTXSID80454668
• Nikkaji Number: J1.211.231I
• Mol file: 136354-01-3.mol

Synonyms:136354-01-3;Carbamic acid, (1-methoxy-2-phenylethyl)-, methyl ester;DTXSID80454668;alpha-Methoxyphenethylcarbamic acid methyl ester

Chemical Property of Carbamic acid, (1-methoxy-2-phenylethyl)-, methyl ester

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 190

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Carbamic acid, (1-methoxy-2-phenylethyl)-, methyl ester

There total 3 articles about Carbamic acid, (1-methoxy-2-phenylethyl)-, methyl 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: 81.0%

methanol (67-56-1) + 2-((methoxycarbonyl)amino)-3-phenylpropanoic acid (77357-58-5) → N-methoxycarbonyl-1-methoxy-2-phenylethylamine (136354-01-3)

Guidance literature:

With sodium acetate; at -10 ℃; Electrolysis;

DOI:10.1016/S0040-4020(97)00170-1

Reference yield:

phenethylamine (64-04-0) → N-methoxycarbonyl-1-methoxy-2-phenylethylamine (136354-01-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / Et₃N / CHCl₃

2: 45 percent Turnov_. / NaOMe, NaBr / electrochemical oxidation

With sodium methylate; triethylamine; sodium bromide; In chloroform;

Reference yield:

methanol (67-56-1) + methyl N-(2-phenylethyl)carbamate (26011-68-7) → N-methoxycarbonyl-1-methoxy-2-phenylethylamine (136354-01-3)

Guidance literature:

With sodium methylate; sodium bromide; electrochemical oxidation;

upstream raw materials:

methanol

methyl N-(2-phenylethyl)carbamate

2-((methoxycarbonyl)amino)-3-phenylpropanoic acid

phenethylamine

Downstream raw materials:

N-methoxycarbonyl-2-phenylethenylamine

DL-erythro-3-amino-2-hydroxy-4-phenylbutanoic acid

(±)-(4R,5S)-4-benzyl-2-oxooxazolidine-5-carboxylic acid

(S)-5-phenyl-1,3-oxazolidine-2-one