Vatanidipine

Base Information

Chemical Name:Vatanidipine
CAS No.:116308-55-5
Deprecated CAS:134054-36-7
Molecular Formula:C₄₁H₄₂N₄O₆
Molecular Weight:686.808
Hs Code.:
UNII:964O2QV611
DSSTox Substance ID:DTXSID2043747
Wikidata:Q27271865
NCI Thesaurus Code:C152837
ChEMBL ID:CHEMBL2105881
Mol file:116308-55-5.mol

Synonyms:2-(4-(4-benzhydryl-1-piperazinyl)phenyl)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyrdinedicarboxylate hydrochloride;AE 0047;AE-0047;AE0047;Watanidipine

Suppliers and Price of Vatanidipine

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

American Custom Chemicals Corporation
VATANIDIPINE 95.00%
5MG
$ 495.63

Total 1 raw suppliers

Chemical Property of Vatanidipine

Chemical Property:

Vapor Pressure:1.45E-25mmHg at 25°C
Boiling Point:799.4°C at 760 mmHg
PKA:7.11±0.10(Predicted)
Flash Point:437.3°C
PSA：116.93000
Density:1.237g/cm³
LogP:7.55500
XLogP3:7.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:686.31043507
Heavy Atom Count:51
Complexity:1250

Purity/Quality:: VATANIDIPINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC

Technology Process of Vatanidipine

There total 6 articles about Vatanidipine 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: 48.0%

: 116308-41-9
2-<4-(4-benzhydryl-1-piperazinyl)phenyl>ethyl acetoacetate

: 21731-17-9
methyl 3-aminocrotonate

: 116308-55-5,134054-36-7
4-(4-benzhydrylpiperazino)phenetyl methyl 1,4-dihydro-2-6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine

Guidance literature:: In 3-nitro-benzaldehyde; isopropyl alcohol;

Reference yield: 48.0%

: 116308-55-5,134054-36-7
4-(4-benzhydrylpiperazino)phenetyl methyl 1,4-dihydro-2-6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine

Guidance literature:

Reference yield:

: 76093-33-9
(R)-5-(methoxycarbonyl)-2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

: 134028-04-9,116308-55-5,134054-36-7
(4S)-(+)-2-<4-(4-Benzhydryl-1-piperazinyl)phenyl>ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / CH₂Cl₂; dimethylformamide / 2.5 h / 5 - 9 °C

2: CH₂Cl₂; dimethylformamide / 16 h / 5 °C

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1248/cpb.39.108