Methyl 4-aminophenethylcarbamate

Base Information

• Chemical Name: Methyl 4-aminophenethylcarbamate
• CAS No.: 144222-20-8
• Molecular Formula: C10H14 N2 O2
• Molecular Weight: 194.233
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40479256
• Nikkaji Number: J2.168.461I
• Wikidata: Q82313239
• Mol file: 144222-20-8.mol

Synonyms:144222-20-8;Methyl 4-aminophenethylcarbamate;methyl (4-aminophenethyl)carbamate;METHYL N-[2-(4-AMINOPHENYL)ETHYL]CARBAMATE;[2-(4-Amino-phenyl)-ethyl]-carbamic acid methyl ester;Methyl [2-(4-aminophenyl)ethyl]carbamate;SCHEMBL14515857;DTXSID40479256;AKOS010467478;FT-0754900

Chemical Property of Methyl 4-aminophenethylcarbamate

Chemical Property:

• Vapor Pressure: 6.94E-06mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 377.1°C at 760 mmHg
• PKA: 12.55±0.46(Predicted)
• Flash Point: 181.8°C
• PSA: 64.35000
• Density: 1.143g/cm³
• LogP: 2.13940
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.105527694
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

98%min ^*data from raw suppliers

Methyl4-aminophenethylcarbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NCCC1=CC=C(C=C1)N

Technology Process of Methyl 4-aminophenethylcarbamate

There total 2 articles about Methyl 4-aminophenethylcarbamate 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: 45.0%

p-Aminophenethylamine (13472-00-9) + carbonic acid dimethyl ester (616-38-6) → 4-(2-Methylamino-ethyl)-phenylamine (32868-32-9) + 4-[2-(dimethylamino)ethyl]aniline (5636-52-2) + 2-4-aminophenylethylcarbamic acid methyl ester (144222-20-8)

Guidance literature:

With carbon dioxide; at 130 ℃; for 17h; under 67505.4 Torr;

DOI:10.1021/jo0477796

Reference yield:

p-Aminophenethylamine (13472-00-9) + methyl chloroformate (79-22-1) → 2-4-aminophenylethylcarbamic acid methyl ester (144222-20-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at -78 ℃;

DOI:10.1080/00397919208019091

Reference yield:

2-4-aminophenylethylcarbamic acid methyl ester (144222-20-8) → p-Aminophenethylamine (13472-00-9)

Guidance literature:

With trifluorormethanesulfonic acid; trifluoroacetic acid; at 70 ℃; Kinetics; Inert atmosphere;

DOI:10.1021/jo3020566

upstream raw materials:

p-Aminophenethylamine

methyl chloroformate

carbonic acid dimethyl ester

Downstream raw materials:

4-(2-Methylamino-ethyl)-phenylamine

p-Aminophenethylamine

Refernces

• 1、 Selva, Maurizio,Tundo, Pietro,Perosa, Alvise,Dall'Acqua, Federico. "Synthesis of methyl carbamates from primary aliphatic amines and dimethyl carbonate in supercritical CO2: Effects of pressure and cosolvents and chemoselectivity". . p. 2771 - 2777. Retrieved 2007/10/03.