4,5,6-Trichloronicotinic acid ethyl ester

Base Information

Chemical Name:4,5,6-Trichloronicotinic acid ethyl ester
CAS No.:181261-73-4
Molecular Formula:C₈H₆Cl₃NO₂
Molecular Weight:254.5
Hs Code.:2933399090
DSSTox Substance ID:DTXSID60428983
Wikidata:Q82241852
Mol file:181261-73-4.mol

Synonyms:181261-73-4;ethyl 4,5,6-trichloronicotinate;4,5,6-Trichloronicotinic acid ethyl ester;ethyl 4,5,6-trichloropyridine-3-carboxylate;ethyl4,5,6-trichloronicotinate;SCHEMBL2695382;DTXSID60428983;XWJXULFLZWQHML-UHFFFAOYSA-N;MFCD03695822;AKOS027252475;AM10123;AS-65086;CS-0159338;FT-0760401;3-Pyridinecarboxylic acid, 4,5,6-trichloro-, ethyl ester

Suppliers and Price of 4,5,6-Trichloronicotinic acid ethyl ester

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

Chemenu
Ethyl4,5,6-trichloronicotinate 95%
1g
$ 636.00

American Custom Chemicals Corporation
4,5,6-TRICHLORONICOTINIC ACID ETHYL ESTER 95.00%
5MG
$ 502.39

Alichem
4,5,6-Trichloronicotinicacidethylester
1g
$ 1347.15

Total 7 raw suppliers

Chemical Property of 4,5,6-Trichloronicotinic acid ethyl ester

Chemical Property:

PSA：39.19000
LogP:3.21850
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:252.946412
Heavy Atom Count:14
Complexity:215

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl4,5,6-trichloronicotinate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CN=C(C(=C1Cl)Cl)Cl

Technology Process of 4,5,6-Trichloronicotinic acid ethyl ester

There total 2 articles about 4,5,6-Trichloronicotinic acid ethyl ester 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:

: 846541-71-7
ethyl 5-chloro-4,6-dihydroxynicotinate

: 181261-73-4
ethyl 4,5,6-trichloronicotinate

Guidance literature:: With trichlorophosphate; at 120 ℃;

Reference yield:

: 6975-44-6
4,6-dihydroxynicotinic acid ethyl ester

: 181261-73-4
ethyl 4,5,6-trichloronicotinate

Guidance literature:: Multi-step reaction with 2 steps

1: NCS / dimethylformamide / 72 h / 20 °C

2: 6.04 g / POCl₃; TEA / 4 h / 60 °C

With N-chloro-succinimide; TEA; trichlorophosphate; In N,N-dimethyl-formamide;
DOI:10.1021/jm050834y

Reference yield:

: 181261-73-4
ethyl 4,5,6-trichloronicotinate

: 847373-09-5
methyl 4-(4-bromo-2-chlorophenylamino)-5,6-dichloronicotinate

Guidance literature:: Multi-step reaction with 3 steps

1.1: aq. NaOH / tetrahydrofuran; methanol / 0.5 h / 20 °C

2.1: LiHMDS / tetrahydrofuran; hexane / 1 h / -78 °C

2.2: 8.64 g / tetrahydrofuran; hexane / -78 - 20 °C

3.1: 91 percent / ethanol; hexane

With sodium hydroxide; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; ethanol; hexane;
DOI:10.1021/jm050834y