Phenyl(pyridin-4-yl)methyl acetate

Base Information

• Chemical Name: Phenyl(pyridin-4-yl)methyl acetate
• CAS No.: 24929-18-8
• Molecular Formula: C14H13 N O2
• Molecular Weight: 227.263
• NSC Number: 98954
• DSSTox Substance ID: DTXSID50294957
• Nikkaji Number: J737.771A
• Mol file: 24929-18-8.mol

Synonyms:24929-18-8;phenyl(pyridin-4-yl)methyl acetate;NSC98954;SCHEMBL11130696;DTXSID50294957;NSC-98954

Chemical Property of Phenyl(pyridin-4-yl)methyl acetate

Chemical Property:

• Vapor Pressure: 6.4E-05mmHg at 25°C
• Boiling Point: 344.9°Cat760mmHg
• Flash Point: 162.4°C
• Density: 1.14g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(C1=CC=CC=C1)C2=CC=NC=C2

Technology Process of Phenyl(pyridin-4-yl)methyl acetate

There total 3 articles about Phenyl(pyridin-4-yl)methyl acetate 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: 81.0%

acetic anhydride (108-24-7) + phenyl(pyridin-4-yl)methanol (33974-27-5) → (phenyl)(4-pyridyl)methanol acetate (24929-18-8)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1002/adsc.202001367

Reference yield:

4-Benzoylpyridine (14548-46-0) → (phenyl)(4-pyridyl)methanol acetate (24929-18-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate; methanol / 5 h / Cooling with ice

2: triethylamine; dmap / dichloromethane / 20 °C

With methanol; dmap; sodium tetrahydroborate; triethylamine; In dichloromethane;

DOI:10.1002/adsc.202001367

Reference yield:

→ (phenyl)(4-pyridyl)methanol acetate (24929-18-8)

Guidance literature:

Phenyl-4-pyridylmethanol, Essigsaeureanhydrid;

DOI:10.1021/jo00833a071

upstream raw materials:

acetic anhydride

phenyl(pyridin-4-yl)methanol

4-Benzoylpyridine

Downstream raw materials:

4-Benzoylpyridine

4-benzyl pyridine

(-)-α-phenyl-4-pyridylmethanol

Refernces

• 1、 Takemoto,Achiwa. "Synthesis of optically active α-phenylpyridylmethanols with Baker's yeast". . p. 802 - 805. Retrieved 2007/10/02.