2-(4-Methylphenoxy)nicotinic acid

Base Information

Chemical Name:2-(4-Methylphenoxy)nicotinic acid
CAS No.:54629-15-1
Molecular Formula:C13H11NO3
Molecular Weight:229.23134
Hs Code.:2933399090
DSSTox Substance ID:DTXSID60384212
Nikkaji Number:J308.178H
Mol file:54629-15-1.mol

Synonyms:54629-15-1;2-(4-methylphenoxy)nicotinic acid;2-(p-Tolyloxy)nicotinic acid;2-(4-methylphenoxy)pyridine-3-carboxylic acid;Maybridge3_000668;2-(p-Tolyloxy)nicotinicacid;Oprea1_406522;SCHEMBL2781160;DTXSID60384212;HMS1432O08;MFCD00052118;AKOS000157858;IDI1_012055;AS-59606;FT-0766108

Suppliers and Price of 2-(4-Methylphenoxy)nicotinic acid

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

American Custom Chemicals Corporation
2-(4-METHYLPHENOXY)NICOTINIC ACID 95.00%
5MG
$ 495.77

Total 10 raw suppliers

Chemical Property of 2-(4-Methylphenoxy)nicotinic acid

Chemical Property:

Vapor Pressure:2.05E-06mmHg at 25°C
Melting Point:164-165 °C
Refractive Index:1.603
Boiling Point:378.9°C at 760 mmHg
PKA:1.39±0.36(Predicted)
Flash Point:182.9°C
PSA：59.42000
Density:1.259g/cm³
LogP:2.88050
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:229.07389321
Heavy Atom Count:17
Complexity:261

Purity/Quality:

99% ^*data from raw suppliers

2-(4-METHYLPHENOXY)NICOTINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)O

Technology Process of 2-(4-Methylphenoxy)nicotinic acid

There total 5 articles about 2-(4-Methylphenoxy)nicotinic acid 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:

: 2942-59-8
2-chloronicotinic acid

: 106-44-5
p-cresol

: 54629-15-1
2-p-tolyloxy-nicotinic acid

Guidance literature:: With potassium carbonate; copper dichloride; In N,N-dimethyl-formamide; at 140 ℃; for 10h;
DOI:10.1021/acs.jafc.0c00947

Reference yield:

: 157201-37-1
C₁₅H₁₅NO₃

: 54629-15-1
2-p-tolyloxy-nicotinic acid

Guidance literature:: With water; lithium hydroxide; In tetrahydrofuran; at 100 ℃; for 4h;
DOI:10.1016/j.bmcl.2011.09.037

Reference yield:

: 106-44-5
p-cresol

: 54629-15-1
2-p-tolyloxy-nicotinic acid

Guidance literature:: Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl acetamide / 48 h / 120 °C

2: water; lithium hydroxide / tetrahydrofuran / 4 h / 100 °C

With water; caesium carbonate; lithium hydroxide; In tetrahydrofuran; N,N-dimethyl acetamide;
DOI:10.1016/j.bmcl.2011.09.037