(1-Hydroxy-3-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetonitrile

Base Information

• Chemical Name: (1-Hydroxy-3-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetonitrile
• CAS No.: 88302-62-9
• Molecular Formula: C₁₆H₁₃NO₂
• Molecular Weight: 251.285
• DSSTox Substance ID: DTXSID00521487
• Mol file: 88302-62-9.mol

Synonyms:88302-62-9;DTXSID00521487;(1-Hydroxy-3-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetonitrile

Chemical Property of (1-Hydroxy-3-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetonitrile

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 251.094628657
• Heavy Atom Count: 19
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3C(O2)(CC#N)O

Technology Process of (1-Hydroxy-3-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetonitrile

There total 1 articles about (1-Hydroxy-3-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetonitrile 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:

3-phenylphthalide (5398-11-8) + acetonitrile (75-05-8,26809-02-9) → 1,3-dihydro-1-hydroxy-3-phenylisobenzofuran-1-acetonitrile (88302-62-9)

Guidance literature:

With sodium amide; Yield given. Multistep reaction; 1.) ammonia liquid, 5 min; 2.) acetonitrile, 2 h.;

DOI:10.1002/jhet.5570200512

Reference yield:

1,3-dihydro-1-hydroxy-3-phenylisobenzofuran-1-acetonitrile (88302-62-9) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 3-(2-benzhydrylphenyl)-2-<(dimethylamino)methylene>-3-oxopropanenitrile (88302-63-0)

Guidance literature:

for 18h; Yield given;

DOI:10.1002/jhet.5570200512

upstream raw materials:

3-phenylphthalide

acetonitrile

Downstream raw materials:

3-(2-benzhydrylphenyl)-2-<(dimethylamino)methylene>-3-oxopropanenitrile