4-(4-Pyrimidinyl)benzoic acid

Base Information

Chemical Name:4-(4-Pyrimidinyl)benzoic acid
CAS No.:249292-43-1
Molecular Formula:C11H8 N2 O2
Molecular Weight:200.19
Hs Code.:
DSSTox Substance ID:DTXSID80363923
Wikidata:Q82147669
Mol file:249292-43-1.mol

Synonyms:4-(4-Pyrimidinyl)benzoic acid;249292-43-1;4-pyrimidin-4-ylbenzoic Acid;4-(pyrimidin-4-yl)benzoic acid;4-Pyrimidin-4-yl-benzoic acid;2-NORBORNANEACETICACID;4-(pyrimidin-4-yl)benzoicacid;SCHEMBL4772421;DTXSID80363923;BB 0238963;FT-0692323

Suppliers and Price of 4-(4-Pyrimidinyl)benzoic 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
4-(4-PYRIMIDINYL)BENZOIC ACID 95.00%
5MG
$ 505.79

Total 3 raw suppliers

Chemical Property of 4-(4-Pyrimidinyl)benzoic acid

Chemical Property:

Vapor Pressure:9.91E-08mmHg at 25°C
Refractive Index:1.619
Boiling Point:417.9°Cat760mmHg
Flash Point:206.5°C
PSA：63.08000
Density:1.302g/cm³
LogP:1.84180
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:200.058577502
Heavy Atom Count:15
Complexity:225

Purity/Quality:

98% ^*data from raw suppliers

4-(4-PYRIMIDINYL)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NC=NC=C2)C(=O)O

Technology Process of 4-(4-Pyrimidinyl)benzoic acid

There total 3 articles about 4-(4-Pyrimidinyl)benzoic 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: 85.0%

: 14047-29-1
4-carboxyphenylboronic acid

: 179051-78-6
4-chloropyrimidine hydrochloride

: 249292-43-1
4-(pyrimidin-4-yl)benzoic acid

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; N-ethyl-N,N-diisopropylamine; In 1,2-dimethoxyethane; water; at 80 ℃; Inert atmosphere;
DOI:10.1021/acs.jmedchem.8b01098