Tert-butyl 2-chloronicotinate

Base Information

Chemical Name:Tert-butyl 2-chloronicotinate
CAS No.:232951-83-6
Molecular Formula:C10H12ClNO2
Molecular Weight:213.664
Hs Code.:2933399090
European Community (EC) Number:825-208-6
DSSTox Substance ID:DTXSID20458342
Nikkaji Number:J1.846.748H
Wikidata:Q72502706
Mol file:232951-83-6.mol

Synonyms:TERT-BUTYL 2-CHLORONICOTINATE;232951-83-6;Tert-butyl 2-chloropyridine-3-carboxylate;3-Pyridinecarboxylic acid, 2-chloro-, 1,1-dimethylethyl ester;MFCD18434485;tert-Butyl2-chloronicotinate;t-Butyl 2-chloronicotinate;SCHEMBL2659360;DTXSID20458342;BKRYJISKTILWAE-UHFFFAOYSA-N;AKOS013152472;2-Chloronicotinic acid tert-butyl ester;AS-44103;SY211534;CS-0130057;EN300-260973;Z1160860781

Suppliers and Price of Tert-butyl 2-chloronicotinate

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
tert-Butyl2-Chloronicotinate
500mg
$ 130.00

Crysdot
tert-Butyl2-chloronicotinate 95+%
5g
$ 309.00

Crysdot
tert-Butyl2-chloronicotinate 95+%
10g
$ 501.00

Crysdot
tert-Butyl2-chloronicotinate 95+%
25g
$ 903.00

Chemenu
tert-Butyl2-chloronicotinate 95%
25g
$ 844.00

Chemenu
tert-Butyl2-chloronicotinate 95%
10g
$ 468.00

Chemenu
tert-Butyl2-chloronicotinate 95%
5g
$ 289.00

Chemcia Scientific
2-Chloro-nicotinicacidtert-butylester ＞97%
5 G
$ 285.00

Chemcia Scientific
2-Chloro-nicotinicacidtert-butylester ＞97%
1 G
$ 92.00

American Custom Chemicals Corporation
TERT-BUTYL-2-CHLORONICOTINATE 95.00%
5MG
$ 504.70

Total 16 raw suppliers

Chemical Property of Tert-butyl 2-chloronicotinate

Chemical Property:

Boiling Point:275.6±20.0 °C(Predicted)
PKA:-1.48±0.10(Predicted)
PSA：39.19000
Density:1.173±0.06 g/cm3(Predicted)
LogP:2.69030
Storage Temp.:2-8°C
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:213.0556563
Heavy Atom Count:14
Complexity:213

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl2-Chloronicotinate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 2-chloronicotinate

There total 11 articles about Tert-butyl 2-chloronicotinate 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: 97.0%

: 49609-84-9
2-Chloronicotinoyl chloride

: 865-47-4
potassium tert-butylate

: 232951-83-6
tert-butyl 2-chloropyridine-3-carboxylate

Guidance literature:: In tetrahydrofuran; at -5 - 0 ℃; for 2.5h;

Reference yield: 92.0%

: 2942-59-8
2-chloronicotinic acid

: 24424-99-5
di-tert-butyl dicarbonate

: 232951-83-6
tert-butyl 2-chloropyridine-3-carboxylate

Guidance literature:: With dmap; In tetrahydrofuran; Reflux;
DOI:10.1002/jhet.799

Reference yield: 88.0%

: 2942-59-8
2-chloronicotinic acid

: 865-47-4
potassium tert-butylate

: 232951-83-6
tert-butyl 2-chloropyridine-3-carboxylate

Guidance literature:: 2-chloronicotinic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

potassium tert-butylate; In tetrahydrofuran; at -10 - 20 ℃; for 2h;