N-Phenylbenzimidoyl chloride

Base Information

• Chemical Name: N-Phenylbenzimidoyl chloride
• CAS No.: 4903-36-0
• Molecular Formula: C13H10ClN
• Molecular Weight: 215.682
• European Community (EC) Number: 625-057-4
• NSC Number: 99735
• DSSTox Substance ID: DTXSID00295111
• Nikkaji Number: J371.305I
• Mol file: 4903-36-0.mol

Synonyms:N-PHENYLBENZIMIDOYL CHLORIDE;4903-36-0;N-Phenyl-benzimidoyl chloride;N-phenylbenzenecarboximidoyl chloride;N-(alpha-Chlorobenzylidene)aniline;NSC99735;TimTec1_000480;N-phenylbenzoimidoyl chloride;NCIOpen2_006592;SCHEMBL4624489;DTXSID00295111;N-PHENYLBENZIMIDOYLCHLORIDE;N-(alp.-Chlorobenzylidene)aniline;WFOFSUPMQDLYOM-UHFFFAOYSA-N;HMS1535F18;N-Phenylbenzimidoyl chloride, 95%;MFCD00040148;NSC-99735;N-phenyl-benzenecarboximidoyl chloride;AKOS000365187;N-PHENYLBENZENECARBONIMIDOYL CHLORIDE;CS-0081185;BRD-K54044704-001-01-5

Chemical Property of N-Phenylbenzimidoyl chloride

Chemical Property:

• Vapor Pressure: 0.000436mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 325.5°Cat760mmHg
• Flash Point: 150.6°C
• PSA: 12.36000
• Density: 1.08g/cm³
• LogP: 4.00370
• Storage Temp.: ?20°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 215.0501770
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Phenylbenzimidoyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 511861
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of N-Phenylbenzimidoyl chloride

There total 18 articles about N-Phenylbenzimidoyl chloride 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%

N-phenyl benzoyl amide (93-98-1,5705-51-1) → N-phenyl-benzimidoyl chloride (4903-36-0)

Guidance literature:

With thionyl chloride; for 2h; Reflux;

DOI:10.1016/j.cclet.2012.02.008

Reference yield: 80.0%

N-phenyl benzoyl amide (93-98-1,5705-51-1) + chlore-methylene-di(tert-butyle)phosphorane (76711-20-1) → di-tert-butyl-methylphosphine oxide (18351-81-0) + N-phenyl-benzimidoyl chloride (4903-36-0)

Guidance literature:

In diethyl ether; added at -20 deg C, then temp. was raised.;

Reference yield:

phosphorus pentachloride (10026-13-8,874483-75-7) + N-Phenyl-benzimidic acid ethyl ester (6780-41-2) → chloroethane (75-00-3) + N-phenyl-benzimidoyl chloride (4903-36-0)

Guidance literature:

upstream raw materials:

N-phenyl benzoyl amide

Benzophenone oxime

N-methyl-N-phenyl-benzamide

chlore-methylene-di(tert-butyle)phosphorane

Downstream raw materials:

N-phenyl-benzimidic acid propyl ester

phenyl(1-phenylethylidene)amine

diethyl β-anilinobenzylidenemalonate

3-acetyl-2,6-dihydroxy-benzophenone

Refernces

• 1、 Kondoh, Azusa,Terada, Masahiro. "Br?nsted Base-Catalyzed Formal Reductive [3+2] Annulation of 4,4,4-Trifluorocrotonate and α-Iminoketones". supporting information. p. 585 - 588. Retrieved 2020/12/07.
• 2、 Ito, Ryota,Miura, Kasumi,Suzuki, Noriyuki,Suzuki, Yumiko,Takehara, Ren. "Regioselective Synthesis of Trisubstituted Quinoxalines Mediated by Hypervalent Iodine Reagents". . p. 16892 - 16900. Retrieved 2021/12/06.