2-Pyridylmethyl acetate

Base Information

• Chemical Name: 2-Pyridylmethyl acetate
• CAS No.: 1007-49-4
• Molecular Formula: C8H9 N O2
• Molecular Weight: 151.165
• Hs Code.: 2933399090
• European Community (EC) Number: 213-756-3
• NSC Number: 44086,33131
• DSSTox Substance ID: DTXSID80143464
• Nikkaji Number: J29.211G
• Wikidata: Q63409263
• Mol file: 1007-49-4.mol

Synonyms:2-Pyridylmethyl acetate;pyridin-2-ylmethyl acetate;1007-49-4;Pyridine, 2-acetoxymethyl-;2-Acetoxymethylpyridine;2-Pyridylcarbinol acetate (ester);Acetic acid, 2-pyridylmethyl ester;2-PYRIDINEMETHANOL, ACETATE (ester);2-Pyridinemethanol, 2-acetate;2-(Acetoxymethyl)pyridine;Pyridine-2-methyl acetate;2-Picolyl acetate;NSC 33131;NSC 44086;EINECS 213-756-3;BRN 0122621;WLN: T6NJ B1OV1;picolinyl acetate;pyridin-2-ylmethylacetate;2-Pyridylcarbinol acetate;2-pyridinemethanol acetate;2-(acetoxymethyl) pyridine;2-(acetoxymethyl)-pyridine;2-Pyridinemethanol, acetate;2-Pyridinylmethyl acetate #;2-PYRIDYLMETHYLACETATE;SCHEMBL533732;2-[(acetyloxy)-methyl]pyridine;DTXSID80143464;NSC33131;NSC44086;NSC-33131;NSC-44086;AKOS005067814;BS-52013;LS-131672;CS-0187774;FT-0633238;2-(2-(hydroxymethyl)-2lambda5-pyridin-2-yl)acetate;Q63409263

Chemical Property of 2-Pyridylmethyl acetate

Chemical Property:

• Vapor Pressure: 0.184mmHg at 25°C
• Boiling Point: 211.3°Cat760mmHg
• Flash Point: 81.6°C
• PSA: 39.19000
• Density: 1.115g/cm³
• LogP: 1.14470
• 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-2-ylmethylacetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC=CC=N1

Technology Process of 2-Pyridylmethyl acetate

There total 27 articles about 2-Pyridylmethyl 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%

2-Hydroxymethylpyridine (586-98-1) + acetic anhydride (108-24-7) → 2-pyridylmethyl acetate (1007-49-4)

Guidance literature:

With thalium(III) chloride tetrahydrate; at 20 ℃; for 0.333333h;

DOI:10.1055/s-0028-1083148

Reference yield: 88.3%

α-picoline (109-06-8) + acetic anhydride (108-24-7) → 2-pyridylmethyl acetate (1007-49-4)

Guidance literature:

α-picoline; With dihydrogen peroxide; acetic acid; at 80 - 90 ℃; for 3h;

acetic anhydride; at 135 ℃; for 0.5h; Time;

Reference yield: 86.0%

2-Hydroxymethylpyridine (586-98-1) + ethyl acetate (141-78-6) → 2-pyridylmethyl acetate (1007-49-4)

Guidance literature:

With 8Na⁽¹⁺⁾*12C₄H₁₀NO^(1-)*2HO^(1-)*2Nd⁽³⁺⁾; In hexane; at 60 ℃; for 16h; Molecular sieve; Inert atmosphere; Schlenk technique;

DOI:10.1021/jo5016536

upstream raw materials:

2-methylpyridine N-oxide

acetic anhydride

Ketene

acetone

Downstream raw materials:

2-(benzyloxymethyl)pyridine

2-chloromethylpyridine

6-Phenyl-2-(pyridin-2-ylmethylsulfanyl)-3H-thieno[3,4-d]imidazole

6-Phenyl-2-(pyridin-2-ylmethanesulfinyl)-3H-thieno[3,4-d]imidazole

Refernces

• 1、 Muth,Darlak. "-". . p. 1909,1913. Retrieved 1965.
• 2、 Weitgenant, Jeremy A.,Mortison, Jonathan D.,Helquist, Paul. "Samarium-promoted coupling of pyridine-based heteroaryl analogues of benzylic acetates with carbonyl compounds". . p. 3609 - 3612. Retrieved 2005.
• 3、 Katritzky et al.. "-". . p. 433. Retrieved 1979.
• 4、 Bullitt,Maynard. "-". . p. 1370. Retrieved 1954.
• 5、 Jones, Gurnos,Sliskovic, D. Robert,Foster, Beverley,Rogers, John,Smith, Anthony K.,et al.. "The Reactions of 1,2,3-Triazolopyridine with Electrophiles". . p. 78 - 81. Retrieved 1981.
• 6、 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.
• 7、 Chapman, Robert S.L.,Francis, Molly,Lawrence, Ruth,Tibbetts, Joshua D.,Bull, Steven D.. "Formyloxyacetoxyphenylmethane and 1,1-diacylals as versatile O-formylating and O-acylating reagents for alcohols". . p. 6442 - 6452. Retrieved 2018/10/02.