N'-(4-chlorophenyl)benzenecarboximidamide

Base Information

• Chemical Name: N'-(4-chlorophenyl)benzenecarboximidamide
• CAS No.: 7035-69-0
• Molecular Formula: C13H11ClN2
• Molecular Weight: 230.697
• DSSTox Substance ID: DTXSID20367920
• Nikkaji Number: J2.855.422B
• ChEMBL ID: CHEMBL1342075
• Mol file: 7035-69-0.mol

Synonyms:7035-69-0;N'-(4-chlorophenyl)benzenecarboximidamide;N'-(4-Chlorophenyl)benzamidine;HMS2726P24;Enamine_005749;Benzenecarboximidamide, N-(4-chlorophenyl)-;N-4-chlorophenylbenzamidine;MLS001005715;SCHEMBL8328537;CHEMBL1342075;N-(4-Chlorophenyl)benzimidamide;DTXSID20367920;HMS1410F07;AKOS008965911;AKOS024344275;IDI1_007984;SMR000348943;benzenecarboximidamide,n-(4-chlorophenyl)-;N-(4-CHLOROPHENYL)BENZENECARBOXIMIDAMIDE;SR-01000025203;SR-01000025203-1

Chemical Property of N'-(4-chlorophenyl)benzenecarboximidamide

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 230.0610761
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)Cl)N

Technology Process of N'-(4-chlorophenyl)benzenecarboximidamide

There total 15 articles about N'-(4-chlorophenyl)benzenecarboximidamide 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%

4-chloro-aniline (106-47-8) + benzonitrile (100-47-0) → N′-(4-chlorophenyl)benzamidine (7035-69-0)

Guidance literature:

With C₃₇H₅₆N₅O₂Si₂Yb⁽²⁺⁾; at 100 ℃; for 12h; Neat (no solvent); Inert atmosphere;

DOI:10.1039/c2dt30400g

Reference yield: 93.0%

4-chloro-aniline (106-47-8) + benzonitrile (100-47-0) → N-(4-chlorophenyl)benzamidine (7035-69-0)

Guidance literature:

In dimethyl sulfoxide; at 0 - 20 ℃; for 17h; Inert atmosphere; Alkaline conditions;

DOI:10.1002/ejoc.201801077

Reference yield: 89.0%

4-chloro-aniline (106-47-8) + benzonitrile (100-47-0) → (Z)-N'-(4-chlorophenyl)benzimidamide (7035-69-0)

Guidance literature:

benzonitrile; With aluminum (III) chloride; at 20 - 100 ℃;

4-chloro-aniline; at 100 ℃; for 6h;

With sodium hydroxide; In water; at 20 ℃;

DOI:10.1016/j.tet.2010.04.103

upstream raw materials:

4-chloro-aniline

benzonitrile

1-Chloro-4-iodobenzene

benzamidin

Downstream raw materials:

1,7-dichloro-3-(2,4-dichlorophenyl)-1,2,4-benzothiadiazine

7-chloro-3-phenyl-2H-1,2,4-benzothiadiazine 1-oxide

4-methyl-1-(4-chlorophenyl)-2-phenyl-cis-3a,4,9,9a-tetrahydroimidazo<4,5-b>quinoxaline hydriodide

4-methyl-1-(4-chlorophenyl)-2-phenyl-cis-3a,4,9,9a-tetrahydroimidazo<4,5-b>quinoxaline

Refernces

• 1、 Charpe, Vaibhav Pramod,Hwang, Kuo Chu,Ragupathi, Ayyakkannu,Sagadevan, Arunachalam. "Photoredox synthesis of functionalized quinazolinesviacopper-catalyzed aerobic oxidative Csp2-H annulation of amidines with terminal alkynes". supporting information. p. 5024 - 5030. Retrieved 2021/07/29.
• 2、 Huang, Xin,Xu, Yingying,Li, Jianglian,Lai, Ruizhi,Luo, Yi,Wang, Qiantao,Yang, Zhongzhen,Wu, Yong. "Synthesis of aminoisoquinolines via Rh-catalyzed [4 + 2] annulation of benzamidamides with vinylene carbonate". supporting information. p. 3518 - 3521. Retrieved 2021/06/12.