3-Tert-butylthio-2-carboxypyridine

Base Information

Chemical Name:3-Tert-butylthio-2-carboxypyridine
CAS No.:178811-41-1
Molecular Formula:C10H13NO2S
Molecular Weight:211.28
Hs Code.:
DSSTox Substance ID:DTXSID80474104
Wikidata:Q82303896
Mol file:178811-41-1.mol

Synonyms:3-TERT-BUTYLTHIO-2-CARBOXYPYRIDINE;178811-41-1;3-(tert-butylthio)picolinic acid;3-tert-butylsulfanylpyridine-2-carboxylic Acid;3-tert-Butylthiopicolinic Acid;SCHEMBL3073197;3-(tert-butylthio)picolinicacid;3-[(1,1-Dimethylethyl)thio]-2-pyridinecarboxylic Acid;3-t-butylthio-2-carboxypyridine;DTXSID80474104;UAUIAQFRHBUKPY-UHFFFAOYSA-N;AKOS017549604;SB21244;CS-0448617;FT-0664168;3-tert-butylthio-2-carboxypyridine, AldrichCPR;F13620;3-(tert-butylsulfanyl)pyridine-2-carboxylic acid;J-011407

Suppliers and Price of 3-Tert-butylthio-2-carboxypyridine

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

Usbiological
3-tert-Butylthio-2-carboxypyridine
500mg
$ 403.00

TRC
3-tert-Butylthio-2-carboxypyridine
5g
$ 875.00

Medical Isotopes, Inc.
3-tert-Butylthio-2-carboxypyridine
5 g
$ 1760.00

Crysdot
3-(tert-Butylthio)picolinicacid 97%
1g
$ 474.00

Biosynth Carbosynth
3-tert-Butylthio-2-carboxypyridine
1 g
$ 363.40

Biosynth Carbosynth
3-tert-Butylthio-2-carboxypyridine
500 mg
$ 200.00

Biosynth Carbosynth
3-tert-Butylthio-2-carboxypyridine
250 mg
$ 112.50

Biosynth Carbosynth
3-tert-Butylthio-2-carboxypyridine
2 g
$ 660.70

Biosynth Carbosynth
3-tert-Butylthio-2-carboxypyridine
5 g
$ 1201.20

American Custom Chemicals Corporation
3-TERT-BUTYLTHIO-2-CARBOXYPYRIDINE 95.00%
5G
$ 1767.15

Total 8 raw suppliers

Chemical Property of 3-Tert-butylthio-2-carboxypyridine

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:132-134°C
Boiling Point:346.073°C at 760 mmHg
Flash Point:163.099°C
PSA：75.49000
Density:1.215g/cm³
LogP:2.67040
Storage Temp.:-20°C Freezer
Solubility.:Dichloromethane, Ether, Ethyl Acetate, Methanol
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:211.06669983
Heavy Atom Count:14
Complexity:213

Purity/Quality:

97% ^*data from raw suppliers

3-tert-Butylthio-2-carboxypyridine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)SC1=C(N=CC=C1)C(=O)O

Technology Process of 3-Tert-butylthio-2-carboxypyridine

There total 2 articles about 3-Tert-butylthio-2-carboxypyridine 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: 87.0%

: 178811-40-0
3-(tert-butylthio)picolinonitrile

: 178811-41-1
3-tert-butylsulfanyl-pyridine-2-carboxylic acid

Guidance literature:: 3-(tert-butylthio)picolinonitrile; With water; sodium hydroxide; In ethanol; for 1h; Inert atmosphere; Reflux;

pH=2; Product distribution / selectivity; Acidic aqueous solution;

Reference yield:

: 55758-02-6
3-bromopyridine-2-carbonitrile

: 178811-41-1
3-tert-butylsulfanyl-pyridine-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 5.4 g / NaH / tetrahydrofuran / 1.5 h / Heating

2: 85 percent / NaOH / ethanol; H₂O / 1 h / Heating

With sodium hydroxide; sodium hydride; In tetrahydrofuran; ethanol; water;
DOI:10.1016/0040-4039(96)00661-2