4-Chloroisoquinoline

Base Information

• Chemical Name: 4-Chloroisoquinoline
• CAS No.: 1532-91-8
• Molecular Formula: C9H6ClN
• Molecular Weight: 163.606
• Hs Code.: 2933499090
• Mol file: 1532-91-8.mol

Synonyms:4-Chloroisoquinoline;

Chemical Property of 4-Chloroisoquinoline

Chemical Property:

• Appearance/Colour: Pale yellow solid
• Vapor Pressure: 0.008mmHg at 25°C
• Melting Point: 27.5-29.5 °C
• Refractive Index: 1.652
• Boiling Point: 276.204 °C at 760 mmHg
• PKA: 3.30±0.10(Predicted)
• Flash Point: 147.383 °C
• PSA: 12.89000
• Density: 1.271 g/cm³
• LogP: 2.88820
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

4-Chloroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Chloroisoquinoline

There total 8 articles about 4-Chloroisoquinoline 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: 92.0%

isoquinoline (119-65-3) → 4-chloroisoquinoline (1532-91-8)

Guidance literature:

With [bis(acetoxy)iodo]benzene; chloroformic acid ethyl ester; In 1,2-dichloro-ethane; at 50 ℃; for 3h; Reagent/catalyst; regioselective reaction;

DOI:10.1016/j.chempr.2018.11.007

Reference yield: 84.0%

N-benzoyl-4-chloro-1-(2',4',6'-trinitrobenzyl)-1,2-dihydroisoquinoline (108231-23-8) → 4-chloroisoquinoline (1532-91-8)

Guidance literature:

With hydrogenchloride; acetic acid; for 3h; Heating;

Reference yield: 77.0%

C23H16N2O2 (120569-14-4) → 4-chloroisoquinoline (1532-91-8) + benzophenone (119-61-9) + hexachloroethane (67-72-1) + benzophenone azine (983-79-9)

Guidance literature:

With tetrachloromethane; Yields of byproduct given; Ambient temperature; Irradiation;

DOI:10.1016/S0040-4039(00)82327-8

upstream raw materials:

4-isoquinolinol

C₂₃H₁₆N₂O₂

N-benzoyl-4-chloro-1-(2',4',6'-trinitrobenzyl)-1,2-dihydroisoquinoline

N-benzoyl-1-(2',4',6'-trinitrobenzyl)-1,2-dihydroisoquinoline

Downstream raw materials:

4-aminoisoquinoline

4-chloro-5-nitroisoquinoline 2-oxide

1,4-dichloro-5-nitroisoquinoline

Refernces

• 1、 Fosu, Stacy C.,Hambira, Chido M.,Chen, Andrew D.,Fuchs, James R.,Nagib, David A.. "Site-Selective C–H Functionalization of (Hetero)Arenes via Transient, Non-symmetric Iodanes". supporting information. p. 417 - 428. Retrieved 2019/02/14.
• 2、 Hasebe, Masato,Tsuchiya, Takashi. "PHOTODECARBOXYLATIVE CHLORINATION OF CARBOXYLIC ACIDS VIA THEIR BENZOPHENONE OXIME ESTERS". . p. 6287 - 6290. Retrieved 2007/10/02.