4-Cyano-3-methylisoquinoline

Base Information

• Chemical Name: 4-Cyano-3-methylisoquinoline
• CAS No.: 161468-32-2
• Molecular Formula: C11H8N2
• Molecular Weight: 168.19500
• DSSTox Substance ID: DTXSID80274328
• Nikkaji Number: J624.568D
• Wikidata: Q27194450
• Mol file: 161468-32-2.mol

Synonyms:4-cyano-3-methylisoquinoline

Chemical Property of 4-Cyano-3-methylisoquinoline

Chemical Property:

• Boiling Point: 330.9±22.0 °C(Predicted)
• PKA: 2.26±0.31(Predicted)
• PSA: 36.68000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 2.41488
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.068748264
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

98%Min ^*data from raw suppliers

4-CYANO-3-METHYLISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2C=N1)C#N

Technology Process of 4-Cyano-3-methylisoquinoline

There total 3 articles about 4-Cyano-3-methylisoquinoline 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: 96.0%

4-iodo-3-methyl-isoquinoline + zinc cyanide → 4-cyano-3-methyl-isoquinoline (161468-32-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 120 ℃;

DOI:10.1016/j.bmcl.2010.03.118

Reference yield: 64.0%

4-bromo-3-methylisoquinoline (133100-87-5) → 4-cyano-3-methyl-isoquinoline (161468-32-2)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; dicyanozinc; tetrakis(triphenylphosphine) palladium⁽⁰⁾; at 105 ℃; for 27h;

Reference yield: 20.0%

N-(4-Cyano-3-methyl-1H-isochromen-1-yl)-acetamide (161468-36-6) → 4-cyano-3-methyl-isoquinoline (161468-32-2) + 1H-1-hydroxy-3-methyl-2-benzopyran-4-carbonitrile

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; at 5 ℃; for 0.5h;

DOI:10.1080/00397919508011362

upstream raw materials:

N-(4-Cyano-3-methyl-1H-isochromen-1-yl)-acetamide

4-bromo-3-methylisoquinoline

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 161468-32-2 4-CYANO-3-METHYLISOQUINOLINE

Send

Send

Metric Ton KG G Pound L ML

Send

Send