N-[4-Chlorophenylsulfonyl]benzenecarboxamidine

Base Information

• Chemical Name: N-[4-Chlorophenylsulfonyl]benzenecarboxamidine
• CAS No.: 14067-79-9
• Molecular Formula: C13H11 Cl N2 O2 S
• Molecular Weight: 294.762
• Hs Code.: 2925290090
• Mol file: 14067-79-9.mol

Synonyms:QOCXZYYBTSTZCG-UHFFFAOYSA-N;HMS1548P21;AKOS002239720;N-[4-Chlorophenylsulfonyl]benzenecarboxamidine;SR-01000221879;N'-[(4-chlorophenyl)sulfonyl]benzenecarboximidamide;SR-01000221879-1;N-[(Z)-Amino(phenyl)methylidene]-4-chlorobenzenesulfonamide #

Chemical Property of N-[4-Chlorophenylsulfonyl]benzenecarboxamidine

Chemical Property:

• PSA: 78.40000
• LogP: 4.21530
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 294.0229765
• Heavy Atom Count: 19
• Complexity: 416

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)N
• Isomeric SMILES: C1=CC=C(C=C1)/C(=N/S(=O)(=O)C2=CC=C(C=C2)Cl)/N

Technology Process of N-[4-Chlorophenylsulfonyl]benzenecarboxamidine

There total 3 articles about N-[4-Chlorophenylsulfonyl]benzenecarboxamidine 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: 46.0%

4-Chlorobenzenesulfonamide (98-64-6) + benzonitrile (100-47-0) → N-(4-chlorophenyl)sulfonylbenzamidine (14067-79-9)

Guidance literature:

With aluminium trichloride; at 250 ℃; for 0.333333h;

Reference yield:

N'-(4-chlorophenylsulfonyl)-N-(2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide → 2,6-dimethyl-1,4-benzoquinone (527-61-7) + N-(4-chlorophenyl)sulfonylbenzamidine (14067-79-9)

Guidance literature:

With water; In dimethyl sulfoxide; for 0.833333h; Heating;

DOI:10.1023/A:1013860204257

Reference yield:

→ N-(4-chlorophenyl)sulfonylbenzamidine (14067-79-9)

Guidance literature:

N-<4-Chlor-benzolsulfonyl>-benzimid-chlorid, NH4OH, CHCl3;

upstream raw materials:

4-Chlorobenzenesulfonamide

benzonitrile

Downstream raw materials:

C₁₃H₁₀Cl₂N₂O₂S

C₁₃H₉Cl₃N₂O₂S

C₁₃H₉Cl₃N₂O₂S₂

C₂₁H₂₅ClN₄O₄S₂

Refernces

• 1、 Dubina, V. L.,Shebitchenko, L. N.,Pedan, V. P.,Yukhno, A. G.,Skripets, V. I.. "N2-(ARYLSULFONYL)ARYLAMIDINES. SYNTHESIS AND PROPERTIES OF N2-(ARYLSULFONYL)ARYLAMIDINES AND THEIR N1-ACYL DERIVATIVES". . p. 691 - 696. Retrieved 2007/10/02.