2-Chloro-5-phenylnicotinic acid

Base Information

Chemical Name:2-Chloro-5-phenylnicotinic acid
CAS No.:117449-73-7
Molecular Formula:C12H8ClNO2
Molecular Weight:233.654
Hs Code.:2933399090
DSSTox Substance ID:DTXSID00555883
Wikidata:Q82437327
Mol file:117449-73-7.mol

Synonyms:2-CHLORO-5-PHENYLNICOTINIC ACID;117449-73-7;2-Chloro-5-phenylpyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 2-chloro-5-phenyl-;SCHEMBL10561251;DTXSID00555883;MFCD14701689;2-CHLORO-5-PHENYLNICOTINICACID;AKOS015892194;BS-19304;A893353

Suppliers and Price of 2-Chloro-5-phenylnicotinic 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
2-Chloro-5-phenylnicotinicacid
25mg
$ 90.00

Crysdot
2-Chloro-5-phenylnicotinicacid 95+%
1g
$ 460.00

Chemenu
2-Chloro-5-phenylnicotinicacid 95%
1g
$ 435.00

American Custom Chemicals Corporation
2-CHLORO-5-PHENYLNICOTINIC ACID 95.00%
250MG
$ 376.95

Alichem
2-Chloro-5-phenyl-3-pyridinecarboxylicacid
1g
$ 586.32

Alichem
2-Chloro-5-phenyl-3-pyridinecarboxylicacid
5g
$ 2521.18

AK Scientific
2-Chloro-5-phenylnicotinicacid
250mg
$ 344.00

aablocks
2-Chloro-5-phenylnicotinicacid 96%
1g
$ 612.00

aablocks
2-Chloro-5-phenylnicotinicacid 96%
250mg
$ 245.00

Total 9 raw suppliers

Chemical Property of 2-Chloro-5-phenylnicotinic acid

Chemical Property:

Melting Point:239-240 °C
Boiling Point:434.6±45.0 °C(Predicted)
PKA:1.96±0.25(Predicted)
PSA：50.19000
Density:1.355±0.06 g/cm3(Predicted)
LogP:3.10020
Storage Temp.:2-8°C
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:233.0243562
Heavy Atom Count:16
Complexity:253

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-phenylnicotinicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=C(N=C2)Cl)C(=O)O

Technology Process of 2-Chloro-5-phenylnicotinic acid

There total 2 articles about 2-Chloro-5-phenylnicotinic 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: 93.0%

: 10177-08-9
1,2-dihydro-2-oxo-5-phenyl-3-pyridinecarboxylic acid

: 117449-73-7
2-chloro-5-phenyl-3-pyridinecarboxylic acid

Guidance literature:: With P,P-dichlorophenylphosphine oxide; at 135 ℃; for 2h;
DOI:10.1021/jm00129a026

Reference yield:

: 824-72-6
P,P-dichlorophenylphosphine oxide

: 10177-08-9
1,2-dihydro-2-oxo-5-phenyl-3-pyridinecarboxylic acid

: 117449-73-7
2-chloro-5-phenyl-3-pyridinecarboxylic acid

Guidance literature:: In tetrahydrofuran; water;

Reference yield:

: 117449-73-7
2-chloro-5-phenyl-3-pyridinecarboxylic acid

: 117427-78-8
2-[2-(dimethylamino)ethyl]-2,3-dihydro-4-methyl-7-phenylpyrido-[3,2-f]-1,4-oxazepine-5(4H)-thione

Guidance literature:: Multi-step reaction with 4 steps

1: 97 g / NaH / tetrahydrofuran / 6 h / Heating

2: 1) thionyl chloride, 2) diisopropylethylamine / 1) r.t., 10 min, 2) CH₂Cl₂

3: 64 percent / 2,4-bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfide / toluene / 1a) reflux, 4 h, 1b) r.t., overnight

4: Ambient temperature

With Lawessons reagent; thionyl chloride; sodium hydride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; toluene;
DOI:10.1021/jm00129a026