2-Methylphenyl nicotinate

Base Information

Chemical Name:2-Methylphenyl nicotinate
CAS No.:3468-49-3
Molecular Formula:C13H11NO2
Molecular Weight:213.23200
Hs Code.:
DSSTox Substance ID:DTXSID301322751
ChEMBL ID:CHEMBL1710602
Mol file:3468-49-3.mol

Synonyms:2-methylphenyl nicotinate;(2-methylphenyl) pyridine-3-carboxylate;3468-49-3;Nicotinic acid o-tolyl ester;Oprea1_070556;MLS001206633;CHEMBL1710602;DTXSID301322751;HMS2824J12;AKOS000528991;SMR000523226;3-pyridinecarboxylic acid,2-methylphenyl ester;AF-399/33197034;BRD-K84905869-001-07-9

Suppliers and Price of 2-Methylphenyl nicotinate

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

Total 1 raw suppliers

Chemical Property of 2-Methylphenyl nicotinate

Chemical Property:

PSA：39.19000
LogP:2.60920
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:213.078978594
Heavy Atom Count:16
Complexity:242

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=CC=C1OC(=O)C2=CN=CC=C2

Technology Process of 2-Methylphenyl nicotinate

There total 2 articles about 2-Methylphenyl nicotinate 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:

: 20260-53-1
pyridine-3-carbonyl chloride hydrochloride

: 95-48-7,77504-84-8
ortho-cresol

: 3468-49-3
nicotinic acid o-tolyl ester

Guidance literature:: With pyridine; chloroform;
DOI:10.1002/ardp.19582910704

Reference yield:

: 3468-49-3
nicotinic acid o-tolyl ester

Guidance literature:: Nicotinsaeure, 1. SOCl2, 2. o-Kresol;

Reference yield: 48.0%

: 3468-49-3
nicotinic acid o-tolyl ester

: 15300-41-1
(naphthalen-2-yl)dimethylcarbamate

: 88639-91-2
2-methylphenyl 2-naphthoate

Guidance literature:: With 3,4-thiene-2,3-diylbis(dicyclohexylphosphine); nickel diacetate; sodium phosphate; zinc; In toluene; at 150 ℃; for 12h;
DOI:10.1021/acscatal.0c00291