Methyl 2-acetylisonicotinate

Base Information

Chemical Name:Methyl 2-acetylisonicotinate
CAS No.:138715-82-9
Molecular Formula:C9H9NO3
Molecular Weight:179.17300
Hs Code.:2933399990
European Community (EC) Number:896-588-9
DSSTox Substance ID:DTXSID20468860
Nikkaji Number:J2.312.906J
Wikidata:Q72486524
Mol file:138715-82-9.mol

Synonyms:METHYL 2-ACETYLISONICOTINATE;138715-82-9;Methyl 2-acetylpyridine-4-carboxylate;2-ACETYL-ISONICOTINIC ACID METHYL ESTER;4-Pyridinecarboxylic acid, 2-acetyl-, methyl ester;MFCD09032412;Methyl2-acetylisonicotinate;methyl-2-acetylisonicotinate;SCHEMBL1759313;DTXSID20468860;VKPFTQQVEGRJCF-UHFFFAOYSA-N;AKOS006288623;DS-4633;SB52344;SY017474;CS-0043679;FT-0736085;EN300-7359827;J-400984

Suppliers and Price of Methyl 2-acetylisonicotinate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Methyl2-acetylisonicotinate 98%
10g
$ 159.00

SynChem
METHYL 2-ACETYLISONICOTINATE 95%
1 g
$ 520.00

Chemenu
methyl2-acetylisonicotinate 98%
25g
$ 246.00

American Custom Chemicals Corporation
2-ACETYL-ISONICOTINIC ACID METHYL ESTER 95.00%
1G
$ 1067.22

Ambeed
Methyl2-acetylisonicotinate 98%
100g
$ 596.00

Ambeed
Methyl2-acetylisonicotinate 98%
1g
$ 91.00

Ambeed
Methyl2-acetylisonicotinate 98%
250mg
$ 25.00

Ambeed
Methyl2-acetylisonicotinate 98%
25g
$ 199.00

Ambeed
Methyl2-acetylisonicotinate 98%
10g
$ 199.00

AK Scientific
Methyl2-acetylisonicotinate
10g
$ 244.00

Total 37 raw suppliers

Chemical Property of Methyl 2-acetylisonicotinate

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Boiling Point:296.59oC at 760 mmHg
PKA:0.35±0.10(Predicted)
Flash Point:133.173oC
PSA：56.26000
Density:1.178g/cm3
LogP:1.07080
Storage Temp.:Inert atmosphere,Room Temperature
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:179.058243149
Heavy Atom Count:13
Complexity:215

Purity/Quality:

98% ^*data from raw suppliers

Methyl2-acetylisonicotinate 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=NC=CC(=C1)C(=O)OC

Technology Process of Methyl 2-acetylisonicotinate

There total 6 articles about Methyl 2-acetylisonicotinate 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: 66.0%

: 2459-09-8
4-pyridinecarboxylic acid, methyl ester

: 75-07-0,9002-91-9
acetaldehyde

: 138715-82-9
methyl 2-acetylpyridine-4-carboxylate

Guidance literature:: 4-pyridinecarboxylic acid, methyl ester; acetaldehyde; With tert.-butylhydroperoxide; ferrous(II) sulfate heptahydrate; trifluoroacetic acid; In acetonitrile; for 3h; Reflux;

With sodium hydroxide; In water;
DOI:10.1021/om900481g

Reference yield: 65.0%

: 2459-09-8
4-pyridinecarboxylic acid, methyl ester

: 123-63-7
paracetaldehyde

: 138715-82-9
methyl 2-acetylpyridine-4-carboxylate

Guidance literature:: With tert.-butylhydroperoxide; ferrous(II) sulfate heptahydrate; trifluoroacetic acid; In acetonitrile; at 60 ℃; for 18h;
DOI:10.1021/acs.inorgchem.7b01632

Reference yield:

: 66572-56-3
2-bromoisonicotinic acid

: 138715-82-9
methyl 2-acetylpyridine-4-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C / Cooling with ice

2.1: diisopropylamine / bis-triphenylphosphine-palladium(II) chloride / acetonitrile / 0.5 h / Inert atmosphere

2.2: 10 - 20 °C / Inert atmosphere

3.1: mercury(II) diacetate; sulfuric acid / tetrahydrofuran / 3 h / 50 °C

With sulfuric acid; mercury(II) diacetate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; diisopropylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; dichloromethane; acetonitrile;