Methyl 4-chloro-N-cyanobenzene-1-carboximidate

Base Information

• Chemical Name: Methyl 4-chloro-N-cyanobenzene-1-carboximidate
• CAS No.: 102423-20-1
• Molecular Formula: C9H7ClN2O
• Molecular Weight: 194.62
• DSSTox Substance ID: DTXSID60545669
• Nikkaji Number: J2.805.700H
• Mol file: 102423-20-1.mol

Synonyms:102423-20-1;Methyl 4-chloro-N-cyanobenzene-1-carboximidate;DTXSID60545669

Chemical Property of Methyl 4-chloro-N-cyanobenzene-1-carboximidate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=NC#N)C1=CC=C(C=C1)Cl

Technology Process of Methyl 4-chloro-N-cyanobenzene-1-carboximidate

There total 1 articles about Methyl 4-chloro-N-cyanobenzene-1-carboximidate 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: 85.0%

methanol (67-56-1) + CYANAMID (420-04-2) + 4-chlorobenzaldehyde (104-88-1) → methyl 4-chloro-N-cyanobenzimidate (102423-20-1)

Guidance literature:

methanol; CYANAMID; 4-chlorobenzaldehyde; With sodium t-butanolate; at 20 ℃; for 0.5h;

With N-Bromosuccinimide; at 50 ℃; for 12h;

DOI:10.1021/ol902207h

Reference yield: 88.0%

methyl 4-chloro-N-cyanobenzimidate (102423-20-1) + phenylhydrazine (100-63-0) → C14H11ClN4 (1196908-62-9)

Guidance literature:

In methanol; for 4h; Reflux;

DOI:10.1021/ol902207h

Reference yield: 85.0%

S-benzyl-S-methyl-sulfodiimine (30223-22-4) + methyl 4-chloro-N-cyanobenzimidate (102423-20-1) → N1-(Benzyliminomethyl-sulfanyliden)-4-chlor-N2-cyanbenzamidin (111268-24-7)

Guidance literature:

at 60 ℃;

upstream raw materials:

methanol

CYANAMID

4-chlorobenzaldehyde

Downstream raw materials:

C₁₂H₁₂ClN₃OS

C₁₀H₁₀ClN₃OS

N¹-(Benzyliminomethyl-sulfanyliden)-4-chlor-N²-cyanbenzamidin

N¹-(Benzylethylimino-λ⁶-sulfanyliden)-4-chlor-N²-cyanbenzamidin