2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid

Base Information

Chemical Name:2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid
CAS No.:142221-23-6
Molecular Formula:C₁₄H₁₁NO₃S
Molecular Weight:273.312
Hs Code.:2933399090
DSSTox Substance ID:DTXSID10365894
Wikidata:Q82150917
ChEMBL ID:CHEMBL1346729
Mol file:142221-23-6.mol

Synonyms:142221-23-6;2-[(2-OXO-2-PHENYLETHYL)THIO]NICOTINIC ACID;2-((2-oxo-2-phenylethyl)thio)nicotinic acid;2-phenacylsulfanylpyridine-3-carboxylic acid;2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carboxylic acid;MLS000107107;ChemDiv1_015437;CHEMBL1346729;SCHEMBL14398428;HMS630N15;DTXSID10365894;HMS2501P15;MFCD00791575;STK398622;AKOS000805803;CCG-200142;BS-35718;ML099, >=98% (HPLC);SMR000111479;2-(2-oxo-2-phenylethylthio)nicotinic acid;2-((2-oxo-2-phenylethyl)thio)nicotinicacid;CS-0269731;FT-0767121;2-(2-Oxo-2-phenylethylsulfanyl)nicotinic acid;EN300-235976;SR-01000575233;SR-01000575233-1;F0131-0038

Suppliers and Price of 2-[(2-Oxo-2-phenylethyl)thio]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

TRC
2-[(2-oxo-2-phenylethyl)thio]nicotinicacid
50mg
$ 60.00

ChemBridge Corporation
2-[(2-oxo-2-phenylethyl)thio]nicotinicacid 95%
1 g
$ 98.00

American Custom Chemicals Corporation
2-[(2-OXO-2-PHENYLETHYL)THIO]NICOTINIC ACID 95.00%
1G
$ 660.70

Total 5 raw suppliers

Chemical Property of 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid

Chemical Property:

PSA：92.56000
LogP:2.75480
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:273.04596439
Heavy Atom Count:19
Complexity:329

Purity/Quality:

98% ^*data from raw suppliers

2-[(2-oxo-2-phenylethyl)thio]nicotinicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Technology Process of 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid

There total 2 articles about 2-[(2-Oxo-2-phenylethyl)thio]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: 90.0%

: 38521-46-9
3-carboxy-2-mercaptopyridine

: 70-11-1
α-bromoacetophenone

: 1522374-17-9
3-phenyl-[1,4]oxathiepino[5,6-b]pyridine-5-one

: 142221-23-6
C₁₄H₁₁NO₃S

Guidance literature:: With potassium carbonate; In dimethyl sulfoxide; at 80 ℃; for 0.5h; Reagent/catalyst; Solvent;
DOI:10.1016/j.tetlet.2013.11.030

Reference yield: 85.0%

: 38521-46-9
3-carboxy-2-mercaptopyridine

: 70-11-1
α-bromoacetophenone

: 142221-23-6
C₁₄H₁₁NO₃S

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; at 80 ℃; for 0.5h; Reagent/catalyst; Solvent;
DOI:10.1016/j.tetlet.2013.11.030