Pyridin-3-ylmethyl acetate

Base Information

• Chemical Name: Pyridin-3-ylmethyl acetate
• CAS No.: 10072-09-0
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 2933399090
• European Community (EC) Number: 600-124-0
• NSC Number: 165241
• DSSTox Substance ID: DTXSID60304278
• Nikkaji Number: J736.444J
• Wikidata: Q82050104
• Mol file: 10072-09-0.mol

Synonyms:pyridin-3-ylmethyl acetate;10072-09-0;Acetic acid pyridin-3-ylmethyl ester;(Pyridin-3-yl)methyl acetate;3-Pyridinemethanol, 3-acetate;NSC 165241;3-acetoxymethylpyridine;3-Pyridinemethanol acetate;3-Pyridinemethanol, acetate;3-Pyridinylmethyl acetate #;SCHEMBL2519199;DTXSID60304278;NSC165241;AKOS006242788;AB49310;NSC-165241;ACETICACIDPYRIDIN-3-YLMETHYLESTER;AC-17940;FT-0722374;EN300-249312

Chemical Property of Pyridin-3-ylmethyl acetate

Chemical Property:

• Vapor Pressure: 0.0675mmHg at 25°C
• Boiling Point: 230°Cat760mmHg
• Flash Point: 92.9°C
• PSA: 39.19000
• Density: 1.115g/cm³
• LogP: 1.14470
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%,99%, ^*data from raw suppliers

pyridin-3-ylmethylacetate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1=CN=CC=C1

Technology Process of Pyridin-3-ylmethyl acetate

There total 12 articles about Pyridin-3-ylmethyl 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: 99.0%

3-hydroxymethylpyridin (100-55-0) + acetic anhydride (108-24-7) → 3-(acetoxymethyl)pyridine (10072-09-0)

Guidance literature:

With 4-N,N-dimethylaminopyridinium saccharinate; at 25 ℃; for 0.5h; Inert atmosphere; Neat (no solvent);

DOI:10.1039/c1cc11556a

Reference yield: 83.0%

3-hydroxymethylpyridin (100-55-0) + vinyl acetate (108-05-4,9003-20-7) → 3-(acetoxymethyl)pyridine (10072-09-0)

Guidance literature:

With TBA₇[γ-HGeW₁₀O₃₆]; In acetonitrile; at 39.84 ℃; for 0.0166667h; Temperature;

DOI:10.1002/anie.201405212

Reference yield: 77.0%

3-hydroxymethylpyridin (100-55-0) + acetyl chloride (75-36-5) → 3-(acetoxymethyl)pyridine (10072-09-0)

Guidance literature:

With triethylamine; In benzene; for 3h; Ambient temperature;

DOI:10.1007/BF02290610

upstream raw materials:

3-hydroxymethylpyridin

sodium acetate

acetic anhydride

acetic acid

Downstream raw materials:

3-(hydroxymethyl)-1-methylpyridin-2(1H)-one

C₉H₁₂O₃S*C₈H₁₀N₂O₂

3-Acetoxymethylpyridine-N-oxide

3-hydroxymethylpyridin

Refernces

• 1、 Yang, Lei,Chen, Xuan,Ni, Kaidong,Li, Yuansheng,Wu, Jianhong,Chen, Weilin,Ji, Yin,Feng, Lili,Li, Fei,Chen, Dongyin. "Proton-exchanged montmorillonite-mediated reactions of hetero-benzyl acetates: Application to the synthesis of Zafirlukast". supporting information. . Retrieved 2020/06/28.
• 2、 Nazarzadeh, Somayeh,Ghorbani-Choghamarani, Arash,Tahanpesar, Elham. "Synthesis and characterization of MCM-41@XA@Ni(II) as versatile and heterogeneous catalyst for efficient oxidation of sulfides and acetylation of alcohols under solvent-free conditions". . p. 649 - 659. Retrieved 2018/01/28.