Methyl (1-phenylpropyl)carbamate

Base Information

• Chemical Name: Methyl (1-phenylpropyl)carbamate
• CAS No.: 141178-32-7
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.246
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00396753
• Nikkaji Number: J3.046.017K
• Mol file: 141178-32-7.mol

Synonyms:Methyl (1-phenylpropyl)carbamate;141178-32-7;Methyl N-(1-phenylpropyl)carbamate;(1-PHENYL-PROPYL)-CARBAMIC ACID METHYL ESTER;Methyl(1-phenylpropyl)carbamate;SCHEMBL13072325;DTXSID00396753;AKOS006228314;1-Phenylpropylcarbamic acid methyl ester

Chemical Property of Methyl (1-phenylpropyl)carbamate

Chemical Property:

• PSA: 41.82000
• LogP: 2.69810
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

≥99% ^*data from raw suppliers

Methyl(1-phenylpropyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl (1-phenylpropyl)carbamate

There total 9 articles about Methyl (1-phenylpropyl)carbamate 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: 96.0%

methanol (67-56-1) + 2-phenylbutyramide (90-26-6) → methyl N-(1-phenylpropyl)carbamate (141178-32-7)

Guidance literature:

With Oxone; iodobenzene; In methanol; water; at 40 ℃; for 5h; Inert atmosphere;

DOI:10.1021/jo302375m

Reference yield: 21.0%

triethyl borane (97-94-9) + benzylidene-carbamic acid methyl ester (27593-61-9) → methyl N-(1-phenylpropyl)carbamate (141178-32-7)

Guidance literature:

In hexane; dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1021/jo052518x

Reference yield:

1-phenylpropylamine (2941-20-0) + carbonic acid 4-tert-butyl-2-naphthalen-2-yl-oxazol-5-yl ester methyl ester → (-)-methyl N-(1-phenylpropyl)carbamate (141178-35-0,141178-32-7) + ((R)-1-Phenyl-propyl)-carbamic acid methyl ester (141178-32-7)

Guidance literature:

(-)-PPY*; In chloroform; at -50 ℃; Title compound not separated from byproducts;

DOI:10.1002/1521-3773(20010105)40:1<234::AID-ANIE234>3.0.CO;2-K

upstream raw materials:

1-phenylpropylamine

1-phenyl-propan-1-one

Methyl N-(1-Phenyl-1-propenyl)carbamate

triethyl borane