3-Chloro-1-phenylisoquinoline-4-carbaldehyde

Base Information

• Chemical Name: 3-Chloro-1-phenylisoquinoline-4-carbaldehyde
• CAS No.: 72118-68-4
• Molecular Formula: C16H10ClNO
• Molecular Weight: 267.714
• DSSTox Substance ID: DTXSID90561716
• Wikidata: Q82445571
• Mol file: 72118-68-4.mol

Synonyms:3-chloro-1-phenylisoquinoline-4-carbaldehyde;72118-68-4;3-Chloro-1-phenyl-isoquinoline-4-aldehyde;SCHEMBL10814048;DTXSID90561716;AZQIHIGUNAJOSH-UHFFFAOYSA-N;AKOS030549230;3-chloro-1-phenyl-4-isoquinolinecarbaldehyde;3-chloro-1-phenyl-isoquinoline-4-carbaldehyde

Chemical Property of 3-Chloro-1-phenylisoquinoline-4-carbaldehyde

Chemical Property:

• PSA: 29.96000
• LogP: 4.36770
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 267.0450916
• Heavy Atom Count: 19
• Complexity: 316

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)C=O)Cl

Technology Process of 3-Chloro-1-phenylisoquinoline-4-carbaldehyde

There total 9 articles about 3-Chloro-1-phenylisoquinoline-4-carbaldehyde 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: 85.0%

3-chloro-1-phenyl-isoquinoline-4-carbonitrile (72118-85-5) → 3-chloro-1-phenyl-4-isoquinoline carboxaldehyde (72118-68-4)

Guidance literature:

In water; toluene;

Reference yield: 70.0%

3-Chloro-4-dimethylaminomethylene-1,4-dihydroisoquinoline (72179-14-7) → 3-chloro-1-phenyl-4-isoquinoline carboxaldehyde (72118-68-4)

Guidance literature:

With potassium permanganate; sulfuric acid; for 2h; Ambient temperature;

DOI:10.1055/s-1988-27669

Reference yield: 67.0%

3-Chloro-4-dimethylaminomethylene-1,4-dihydroisoquinoline (72179-14-7) → 3-chloro-1-phenyl-4-isoquinoline carboxaldehyde (72118-68-4) + 3,4-Dichloro-1-phenylisoquinoline (120285-00-9)

Guidance literature:

With sodium hypochlorite; In methanol; at 50 ℃; for 1.5h;

DOI:10.1055/s-1988-27670

upstream raw materials:

3-Chloro-4-dimethylaminomethylene-1,4-dihydroisoquinoline

1-phenyl-1,4-dihydro-3(2H)-isoquinolinone

3-chloro-1-phenyl-isoquinoline-4-carbonitrile

N,N-dimethyl-formamide

Downstream raw materials:

3-Chloro-1-(3-nitrophenyl)-isoquinoline-4-aldehyde

3-Chloro-1-phenyl-isoquinoline-4-carboxylic acid

1-phenyl-3-trimethylsilylethynyl-4-isoquinoline carboxaldehyde

3-(4-methyl-piperazin-1-yl)-1-phenyl-isoquinoline-4-carbaldehyde