Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Base Information Edit

Chemical Name:Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
CAS No.:71145-03-4
Molecular Formula:C16H15F3N2O4
Molecular Weight:356.301
Hs Code.:
European Community (EC) Number:636-102-2
DSSTox Substance ID:DTXSID301017346
Nikkaji Number:J21.728J
Wikipedia:Bay_K8644
Wikidata:Q4874027
Metabolomics Workbench ID:67424
ChEMBL ID:CHEMBL1082832,CHEMBL1322959
Mol file:71145-03-4.mol

Synonyms:3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, Methyl ester;Bay K 8644;Bay K8644;Bay R 5417;Bay R5417;Bay-K-8644;Bay-K-8644, (+)-Isomer;Bay-K-8644, (+-)-Isomer;Bay-K-8644, (-)-Isomer;Bay-K8644;Bay-R-5417;BayK8644;BayR5417;BK 8644;BK-8644;BK8644;R5417, Bay

Suppliers and Price of Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Supply Marketing:Edit

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
(±)-Bay K 8644
10mg
$ 135.00

TRC
(±)-Bay K 8644
50mg
$ 630.00

SynQuest Laboratories
Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
100 mg
$ 795.00

SynQuest Laboratories
Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
10 mg
$ 495.00

Sigma-Aldrich
(±)-Bay K8644 calcium channel agonist
5mg
$ 263.00

Sigma-Aldrich
(±)-Bay K8644 calcium channel agonist
25mg
$ 1040.00

DC Chemicals
BayK-8644 >98%
250 mg
$ 1000.00

DC Chemicals
BayK-8644 >98%
100 mg
$ 600.00

Cayman Chemical
(±)-Bay K 8644 ≥98%
5mg
$ 80.00

Cayman Chemical
(±)-Bay K 8644 ≥98%
1mg
$ 29.00

Total 20 raw suppliers

Chemical Property of Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Edit

Chemical Property:

Appearance/Colour:yellow powder
Vapor Pressure:9.53E-07mmHg at 25°C
Melting Point:166 °C
Refractive Index:1.545
Boiling Point:429.2 °C at 760 mmHg
PKA:-3.43±0.70(Predicted)
Flash Point:213.4 °C
PSA：84.15000
Density:1.37 g/cm³
LogP:4.19940
Storage Temp.:2-8°C
Solubility.:DMSO: 184 mg/mL
Water Solubility.:Soluble in DMSO at 20mg/ml. Also soluble in methanol or ethanol at 60mg/ml. Insoluble in water
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:356.09839145
Heavy Atom Count:25
Complexity:634

Purity/Quality:

98%,99%, ^*data from raw suppliers

(±)-Bay K 8644 ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC
Description BAY K8644 (71145-03-4) is an L-type Ca2+-channel activator with positive inotropic and vasoconstrictive effects.
Uses An active L-type, voltage-gated calcium channel agonist

Technology Process of Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

There total 5 articles about Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate 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: 47.0%