Methyl benzylcarbamate

Base Information

• Chemical Name: Methyl benzylcarbamate
• CAS No.: 5817-70-9
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2924299090
• European Community (EC) Number: 847-646-7
• NSC Number: 30335
• DSSTox Substance ID: DTXSID40283198
• Nikkaji Number: J555.786K
• Wikidata: Q82017682
• Mol file: 5817-70-9.mol

Synonyms:methyl benzylcarbamate;5817-70-9;methyl N-benzylcarbamate;Carbamic acid,N-(phenylmethyl)-, methyl ester;methylbenzylcarbamate;NSC30335;(Phenylmethyl)-carbamic acid methyl ester;Maybridge3_003158;Carbamic acid, (phenylmethyl)-, methyl ester;SCHEMBL1720194;DTXSID40283198;HMS1439P12;MFCD00025856;NSC-30335;STL069521;AKOS003869529;SB76655;IDI1_014545;DS-10265;CS-0150648;C75727;EN300-1237564

Chemical Property of Methyl benzylcarbamate

Chemical Property:

• Vapor Pressure: 0.00211mmHg at 25°C
• Melting Point: 65 °C
• Refractive Index: 1.518
• Boiling Point: 290.1 °C at 760 mmHg
• PKA: 12?+-.0.46(Predicted)
• Flash Point: 129.3 °C
• PSA: 38.33000
• Density: 1.093 g/cm³
• LogP: 1.93350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

Methylbenzylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)NCC1=CC=CC=C1

Technology Process of Methyl benzylcarbamate

There total 79 articles about Methyl benzylcarbamate 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: 100.0%

carbonic acid dimethyl ester (616-38-6) + benzylamine (100-46-9) → methyl N-benzylcarbamate (5817-70-9)

Guidance literature:

at 20 ℃; for 16h; under 6000600 Torr; neat (no solvent);

DOI:10.1080/00397911.2010.501644

Reference yield: 85.0%

methanol (67-56-1) + N-benzyl-N’,N’-diisopropylurea → methyl N-benzylcarbamate (5817-70-9) + diisopropylamine (108-18-9)

Guidance literature:

at 70 ℃; for 72h;

DOI:10.1002/anie.200904435

Reference yield: 72.0%

methanol (67-56-1) + S,S-dimethyl dithiocarbonate (868-84-8) + benzylamine (100-46-9) → methyl N-benzylcarbamate (5817-70-9) + 1,3-dibenzylurea (1466-67-7) + S-Methyl N-benzyl(thiocarbamate) (90609-83-9)

Guidance literature:

at 60 ℃; for 24h;

DOI:10.1055/s-2007-965943

upstream raw materials:

methanol

potassium cyanate

benzyl chloride

sodium methylate

Downstream raw materials:

C₁₅H₁₅NO₂S

N-Benzyl-N-trimethylsilyl-carbamidsaeure-methylester

methyl 4-nitrobenzylcarbamate

methyl N-benzyl-N-(2-buten-1-yl)carbamate

Refernces

• 1、 Margetic, Davor,Antonac, Irena Zrinski,Glasovac, Zoran,Eckert-Maksic, Mirjana,Maksimovic, Ljiljana. "Reactions of dimethyl carbonate with aliphatic amines under high pressure". . p. 2283 - 2289. Retrieved 2011.
• 2、 -. "METHOD FOR PRODUCING CARBAMATE". Paragraph 0014-0024. . Retrieved 2021/08/13.
• 3、 Ogbu, Ikechukwu Martin,Lusseau, Jonathan,Kurtay, Gülbin,Robert, Frédéric,Landais, Yannick. "Urethanes synthesis from oxamic acids under electrochemical conditions". supporting information. p. 12226 - 12229. Retrieved 2020/10/26.