Chroman-3-carbonitrile

Base Information

• Chemical Name: Chroman-3-carbonitrile
• CAS No.: 89197-60-4
• Molecular Formula: C₁₀H₉NO
• Molecular Weight: 159.188
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20551605
• Mol file: 89197-60-4.mol

Synonyms:Chroman-3-carbonitrile;89197-60-4;3,4-dihydro-2H-chromene-3-carbonitrile;chromane-3-carbonitrile;SCHEMBL10248424;DTXSID20551605;AKOS012899130;3,4-Dihydro-2H-1-benzopyran-3-carbonitrile;A853539

Chemical Property of Chroman-3-carbonitrile

Chemical Property:

• PSA: 33.02000
• LogP: 1.76128
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 159.068413911
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

98% ^*data from raw suppliers

Chroman-3-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(COC2=CC=CC=C21)C#N

Technology Process of Chroman-3-carbonitrile

There total 1 articles about Chroman-3-carbonitrile 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:

2H-chromene-3-carbonitrile (57543-66-5) → 3-cyano-chroman (89197-60-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 65 - 70 ℃; for 24h; under 3102.9 Torr;

DOI:10.1021/jm00371a003

upstream raw materials:

2H-chromene-3-carbonitrile

Refernces