4-(Pyrimidin-5-yl)benzoic acid

Base Information

Chemical Name:4-(Pyrimidin-5-yl)benzoic acid
CAS No.:216959-91-0
Molecular Formula:C11H8N2O2
Molecular Weight:200.197
Hs Code.:2933599090
DSSTox Substance ID:DTXSID80400504
Nikkaji Number:J1.308.235I
Wikidata:Q72504919
Mol file:216959-91-0.mol

Synonyms:4-(pyrimidin-5-yl)benzoic acid;216959-91-0;4-Pyrimidin-5-yl-benzoic acid;4-pyrimidin-5-ylbenzoic Acid;4-(5-Pyrimidinyl)benzoic acid;SCHEMBL1222296;DTXSID80400504;CCBKADQVSXLSDN-UHFFFAOYSA-N;4-(pyrimidin-5-yl) benzoic acid;MFCD05864811;AKOS004117304;CS-W022025;SB60573;TS-02826;AM20050580;BB 0222963;FT-0694741;EN300-745484;A878958;W-206670

Suppliers and Price of 4-(Pyrimidin-5-yl)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

TRC
4-Pyrimidin-5-yl-benzoicAcid
50mg
$ 60.00

SynChem
4-Pyrimidin-5-yl-benzoic acid 95+%
1 g
$ 90.00

SynChem
4-Pyrimidin-5-yl-benzoic acid 95+%
10 g
$ 540.00

SynChem
4-Pyrimidin-5-yl-benzoic acid 95+%
5 g
$ 345.00

Medical Isotopes, Inc.
4-(Pyrimidin-5-yl)benzoicacid 95+%
1000 mg
$ 444.00

Matrix Scientific
4-Pyrimidin-5-yl-benzoic acid 95+%
10g
$ 1110.00

Matrix Scientific
4-Pyrimidin-5-yl-benzoic acid 95+%
1g
$ 174.00

Matrix Scientific
4-Pyrimidin-5-yl-benzoic acid 95+%
5g
$ 755.00

Chemenu
4-Pyrimidin-5-yl-benzoicacid 95%
5g
$ 358.00

Chemenu
4-Pyrimidin-5-yl-benzoicacid 95%
1g
$ 105.00

Total 30 raw suppliers

Chemical Property of 4-(Pyrimidin-5-yl)benzoic acid

Chemical Property:

Vapor Pressure:8.69E-08mmHg at 25°C
Melting Point:316-317 °C
Boiling Point:419.5 °C at 760 mmHg
PKA:3.81±0.10(Predicted)
Flash Point:207.5 °C
PSA：63.08000
Density:1.303 g/cm³
LogP:1.84180
Storage Temp.:Sealed in dry,Room Temperature
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:219

Purity/Quality:

97% ^*data from raw suppliers

4-Pyrimidin-5-yl-benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36/37/38
Safety Statements: 22-26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(Pyrimidin-5-yl)benzoic acid

There total 7 articles about 4-(Pyrimidin-5-yl)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: 86.0%

: 216959-91-0
4-[Pyrimidin-5-yl]-Benzoic Acid

Guidance literature:

Reference yield: 80.0%

: 82525-18-6
4-(pyrimidin-5-yl)benzoic acid ethyl ester

: 216959-91-0
4-[Pyrimidin-5-yl]-Benzoic Acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; ethanol; water; at 60 ℃; for 24h;
DOI:10.1021/acs.cgd.5b01307

Reference yield: 60.0%

: 4595-59-9
5-bromopyrimidine

: 14047-29-1
4-carboxyphenylboronic acid

: 216959-91-0
4-[Pyrimidin-5-yl]-Benzoic Acid

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; at 90 ℃; Inert atmosphere;
DOI:10.1002/ardp.200700261