Cipralisant

Base Information

Chemical Name:Cipralisant
CAS No.:213027-19-1
Molecular Formula:C14H20N2
Molecular Weight:216.322
Hs Code.:
UNII:309713XSKW
DSSTox Substance ID:DTXSID501318142
Nikkaji Number:J978.873E
Wikipedia:Cipralisant
Wikidata:Q909387
NCI Thesaurus Code:C76618
Pharos Ligand ID:QWBNP3YP78TU
ChEMBL ID:CHEMBL278462
Mol file:213027-19-1.mol

Synonyms:4-(2-(5,5-dimethylhex-1-ynyl)cyclopropyl)imidazole;GT 2331;GT-2331

Suppliers and Price of Cipralisant

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

Total 3 raw suppliers

Chemical Property of Cipralisant

Chemical Property:

Vapor Pressure:7.72E-06mmHg at 25°C
Melting Point:173-175 °C
Boiling Point:386.7°C at 760 mmHg
PKA:14.18±0.10(Predicted)
Flash Point:188.5°C
PSA：28.68000
Density:1.03g/cm³
LogP:3.34290
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:216.162648646
Heavy Atom Count:16
Complexity:302

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)CCC#CC1CC1C2=CN=CN2
Isomeric SMILES:CC(C)(C)CCC#C[C@@H]1C[C@H]1C2=CN=CN2

Technology Process of Cipralisant

There total 4 articles about Cipralisant 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:

: 223419-88-3
4-((1R,2R)-2-(5,5-dimethyl-hex-1-yn-1-yl)-cyclopropyl)-1-trityl-1H-imidazole

: 213027-19-1
cipralisant

Guidance literature:: With hydrogenchloride; In ethanol; at 85 - 90 ℃; for 0.5h; Yield given;
DOI:10.1021/jm980310g

Reference yield:

: 15672-88-5
neohexyliodide

: 213027-19-1
cipralisant

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-BuLi, TMEDA / 1.) THF, -20 deg C, 45 min, 2.) THF, 55 deg C

2: aq. 2.0 N HCl / ethanol / 0.5 h / 85 - 90 °C

With hydrogenchloride; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In ethanol;
DOI:10.1021/jm980310g

Reference yield:

: 223419-91-8
(1R,2R)-4-(2-ethynylcyclopropyl)-1-(triphenylmethyl)imidazole

: 213027-19-1
cipralisant

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-BuLi, TMEDA / 1.) THF, -20 deg C, 45 min, 2.) THF, 55 deg C

2: aq. 2.0 N HCl / ethanol / 0.5 h / 85 - 90 °C

With hydrogenchloride; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In ethanol;
DOI:10.1021/jm980310g