Pyridin-4-ylmethyl acetate

Base Information

• Chemical Name: Pyridin-4-ylmethyl acetate
• CAS No.: 1007-48-3
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 2933399090
• European Community (EC) Number: 213-755-8
• NSC Number: 403921
• UNII: QMR46B9CJS
• DSSTox Substance ID: DTXSID20143463
• Nikkaji Number: J47.148H
• Wikidata: Q63396491
• Mol file: 1007-48-3.mol

Synonyms:pyridin-4-ylmethyl acetate;1007-48-3;4-ACETOXYMETHYLPYRIDINE;4-Pyridylmethyl acetate;4-(Acetoxymethyl)pyridine;Pyridine-4-methyl acetate;4-Picolyl acetate;4-Pyridylcarbinol acetate (ester);4-Pyridinemethanol, acetate (ester);EINECS 213-755-8;NSC-403921;5227-44-1;pyridin-4-ylmethylacetate;4-Pyridinylmethyl acetate;QMR46B9CJS;4-Pyridinemethanol, acetate;4-Pyridinylmethyl acetate #;pyridin-4-ylmethyl ethanoate;(pyridin-4-yl)methyl acetate;4-Pyridinemethanol, 4-acetate;SCHEMBL2945515;DTXSID20143463;Acetic acid, 4-pyridylmethyl ester;acetic acid pyridin-4-ylmethyl ester;NSC403921;AKOS006237651;NSC 403921;CS-0376244;FT-0652572;A800267;Q63396491

Chemical Property of Pyridin-4-ylmethyl acetate

Chemical Property:

• Vapor Pressure: 0.0616mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 231.648 °C at 760 mmHg
• PKA: 4.99±0.26(Predicted)
• Flash Point: 93.898 °C
• PSA: 20.23000
• Density: 1.116 g/cm³
• LogP: 2.55010
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

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

Pyridin-4-ylmethylacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pyridin-4-ylmethyl acetate

There total 14 articles about Pyridin-4-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: 94.0%

pyridine-4-methanol (586-95-8) + acetyl chloride (75-36-5) → 4-acetoxymethylpyridine (1007-48-3)

Guidance literature:

With triethylamine; In benzene; at 20 ℃; for 16h;

DOI:10.1021/jo049501j

Reference yield: 92.0%

pyridine-4-methanol (586-95-8) + acetic anhydride (108-24-7) → 4-acetoxymethylpyridine (1007-48-3)

Guidance literature:

at 20 ℃; for 1.5h;

DOI:10.1039/b005620k

Reference yield: 74.0%

pyridine-4-methanol (586-95-8) + acetylacetone (123-54-6,81235-32-7) → 4-acetoxymethylpyridine (1007-48-3)

Guidance literature:

With sodium t-butanolate; In tert-Amyl alcohol; at 120 ℃; for 18h; Schlenk technique;

DOI:10.1039/c4ra04618h

upstream raw materials:

4-methylpyridine-1-oxide

acetic anhydride

pyridine-4-methanol

sodium acetate

Downstream raw materials:

4-benzyloxymethylpyridine

4-(methoxymethyl)pyridine

picoline

7-(Hydroxymethyl)-3H-pyrrolizin-3-one

Refernces

• 1、 Goswami, Abir,Gaikwad, Sudhakar,Schmittel, Michael. "A Switchable Catalyst Duo for Acyl Transfer Proximity Catalysis and Regulation of Substrate Selectivity". . p. 2997 - 3001. Retrieved 2021.
• 2、 Li, Lili,Yang, Linlin,Li, Xuezhao,Wang, Jing,Liu, Xin,He, Cheng. "Supramolecular Catalysis of Acyl Transfer within Zinc Porphyrin-Based Metal-Organic Cages". . p. 8802 - 8810. Retrieved 2021.
• 3、 Huang, Sheng-Li,Lin, Yue-Jian,Hor, T. S. Andy,Jin, Guo-Xin. "Cp*Rh-based heterometallic metallarectangles: Size-dependent borromean link structures and catalytic acyl transfer". . p. 8125 - 8128. Retrieved 2013.
• 4、 Dong, Zaizai,Fang, Xiaohong,Kou, Xiaolong,Tan, Weihong,Tang, Xiao-Jun,Wu, Yayun,Zhang, Zhen,Zhao, Rong,Zhou, Wei. "Photorelease of Pyridines Using a Metal-Free Photoremovable Protecting Group". supporting information. p. 18386 - 18389. Retrieved 2020/08/24.