92853-34-4

Basic information

• Product Name: Isoquinoline, 1-(2-chlorophenyl)-3-methyl-
• CAS NO: 92853-34-4
• Molecular Formula: C16H12ClN
• Molecular Weight: 253.731
• Mol File: 92853-34-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: 43-75 °C
• Boiling Point: 357.7±32.0 °C(Predicted)
• Density: 1.206±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Isoquinoline, 1-(2-chlorophenyl)-3-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Isoquinoline, 1-(2-chlorophenyl)-3-methyl-(92853-34-4)
• EPA Substance Registry System: Isoquinoline, 1-(2-chlorophenyl)-3-methyl-(92853-34-4)

Safety Data

• Hazardous Substances Data: 92853-34-4(Hazardous Substances Data)

Upstream product

• 92874-45-8 1-(2-chlorophenyl)-3-methyl-3,4-dihydroisoquinoline 
• 53631-70-2 d,l-norephedrine hydrochloride 
• 61764-71-4 methyl propargyl carbonate 
• 76005-94-2 2-chlorophenyl(phenyl)methanimine 
• 609-65-4 o-chlorobenzoyl chloride 
• 419535-34-5 2-chloro-N-(2-hydroxy-1-methyl-2-phenylethyl)benzamide 
• 93010-73-2 N-(β-phenyl)isopropyl-o-chlorobenzamide 
• 60-15-1 2-amino-1-phenylpropane 

Downstream Products

• 501084-68-0 1-(2-chloro-phenyl)-3-dibromomethyl-isoquinoline 
• 439614-60-5 1-(2-chlorophenyl)isoquinoline-3-carboxaldehyde 
• 439614-64-9 1-(2-chlorophenyl)-3-methylisoquinoline N-oxide 
• 439614-61-6 1-(2-chlorophenyl)-3-hydroxymethylisoquinoline 
• 124236-61-9 (+/-)-1-(2-chlorophenyl)-N-(1-methylpropyl)-3-isoquinolinecarboxamide 
• 109960-06-7 1-(2-chlorophenyl)-3-isoquinolinecarboxylic acid chloride 
• 89242-09-1 1-(2-chlorophenyl)-3-isoquinolinecarboxylic acid 

Relevant articles and documents

Redox-Neutral Manganese(I)-Catalyzed C?H Activation: Traceless Directing Group Enabled Regioselective Annulation

A strategy is reported in which traceless directing groups (TDGs) are used to promote the redox-neutral MnI-catalyzed regioselective synthesis of N-heterocycles. Alkyne coupling partners bearing a traceless directing group, which serves as both the chelator and internal oxidant, were used to control the regioselectivity of the annulation reactions. This operationally simple approach is highly effective with previously challenging unsymmetrical alkyne systems, including unbiased dialkyl alkynes, with perfect regioselectivity. The simple conditions and the ability to carry out synthesis on a gram scale underscore the usefulness of this method. The application of this strategy in the concise synthesis of the bioactive compound PK11209 and the pharmaceutical moxaverine is also described.

Synthetic approaches to 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid

In connection with our research of new antitumor compounds, previously undescribed approaches to the 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid 9 are reported here. Two related accesses from phenylethylamine or amphetamine were investigated and were found to be successful. A more robust synthesis, using Suzuki's cross-coupling between 2-chlorophenylboronic acid 15 and the previously unreported methyl-1-bromoisoquinoline-3-carboxylate 14 was also developed. This synthetic route provides the ground for a combinatorial approach to the core structure of new potential peripheral benzodiazepine receptor ligands.