Methyl 4-methylbenzimidate

Base Information

• Chemical Name: Methyl 4-methylbenzimidate
• CAS No.: 56108-06-6
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• DSSTox Substance ID: DTXSID801295234
• Nikkaji Number: J2.352.981E
• Mol file: 56108-06-6.mol

Synonyms:Methyl 4-methylbenzimidate;SCHEMBL13232308;DTXSID801295234;AKOS010211538;56108-06-6;METHYL 4-METHYLBENZENECARBOXIMIDATE

Chemical Property of Methyl 4-methylbenzimidate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=N)OC

Technology Process of Methyl 4-methylbenzimidate

There total 1 articles about Methyl 4-methylbenzimidate 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:

methanol (67-56-1) + para-methylbenzonitrile (104-85-8) → p-toluimidic acid methyl ester (56108-06-6)

Guidance literature:

With acetyl chloride; at 0 - 25 ℃; for 24h;

DOI:10.1021/jacs.9b07763

Reference yield: 98.0%

ethyl isocyanate (109-90-0) + p-toluimidic acid methyl ester (56108-06-6) → 1-Ethyl-3-[1-methoxy-1-p-tolyl-meth-(Z)-ylidene]-urea (118543-75-2)

Guidance literature:

at 50 ℃; for 24h;

DOI:10.1055/s-1988-27485

Reference yield: 97.0%

phenyl isocyanate (103-71-9) + p-toluimidic acid methyl ester (56108-06-6) → 1-[1-Methoxy-1-p-tolyl-meth-(Z)-ylidene]-3-phenyl-urea (118543-77-4)

Guidance literature:

for 24h; Ambient temperature;

DOI:10.1055/s-1988-27485

upstream raw materials:

methanol

para-methylbenzonitrile

Downstream raw materials:

para-methylbenzonitrile

para-methylbenzamide

N-methyl-p-methylbenzamide

2,4,6-tris(p-tolyl)-1,3,5-triazine

Refernces