N-isopropylbenzenecarboximidoyl chloride

Base Information

• Chemical Name: N-isopropylbenzenecarboximidoyl chloride
• CAS No.: 6620-80-0
• Molecular Formula: C10H12ClN
• Molecular Weight: 181.665
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID50427889
• Nikkaji Number: J2.164.198G
• Mol file: 6620-80-0.mol

Synonyms:N-isopropylbenzenecarboximidoyl chloride;6620-80-0;n-isopropylbenzimidoyl chloride;N-ISOPROPYLBENZENECARBOXIMIDOYLCHLORIDE;N-propan-2-ylbenzenecarboximidoyl chloride;N-(propan-2-yl)benzenecarbonimidoyl chloride;SCHEMBL1085514;DTXSID50427889;MFCD07366397;EN300-14694;(E)-N-(propan-2-yl)benzene-1-carbonimidoyl chloride;Z104511062

Chemical Property of N-isopropylbenzenecarboximidoyl chloride

Chemical Property:

• Vapor Pressure: 8.9E-20mmHg at 25°C
• Boiling Point: 686.3°Cat760mmHg
• Flash Point: 368.8°C
• PSA: 12.36000
• Density: 1.36g/cm³
• LogP: 3.08040
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 181.0658271
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

N-(propan-2-yl)benzenecarbonimidoylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-isopropylbenzenecarboximidoyl chloride

There total 6 articles about N-isopropylbenzenecarboximidoyl 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-isopropylbenzamide (5440-69-7) → N-isopropylbenzimidoyl chloride (6620-80-0)

Guidance literature:

With thionyl chloride; at 70 ℃; for 2.5h; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1002/anie.201405027

Reference yield:

benzoyl chloride (98-88-4) → N-isopropylbenzimidoyl chloride (6620-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran / 2.5 h / 0 - 20 °C / Inert atmosphere; Schlenk technique; Glovebox

2: thionyl chloride / 2.5 h / 70 °C / Inert atmosphere; Schlenk technique; Glovebox

With thionyl chloride; triethylamine; In tetrahydrofuran;

DOI:10.1002/anie.201405027

Reference yield:

N-isopropyl-N-methylbenzamide (79144-77-7) → N-isopropylbenzimidoyl chloride (6620-80-0)

Guidance literature:

With oxalyl dichloride; In chloroform-d1; at 80 ℃;

DOI:10.1002/chem.202100041

upstream raw materials:

N-isopropylbenzamide

benzoyl chloride

benzoic acid

N-isopropyl-N-methylbenzamide

Downstream raw materials:

1-<(α-isopropylaminobenzylidene)thiocarbamoyl>hexahydroazepine

N-Isopropyl-benzimidic acid 2,2,2-trifluoro-1-phenyl-1-trifluoromethyl-ethyl ester

tert-butyl (5S,6R,7R)-2-(N-benzoyl-N-isopropylamino)-5-(2,3-dihydro-1-benzo-furan-6-yl)-7-[4-methoxy-2-(4-methoxybenzyloxymethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate

5-benzo[1,3]dioxol-5-yl-2-(benzoyl-isopropyl-amino)-7-(2-hydroxy-4-methoxy-phenyl)-6,7-dihydro-5H-[1]pyrindine-6-carboxylic acid tert-butyl ester