S,S-Efinaconazole

Base Information

Chemical Name:S,S-Efinaconazole
CAS No.:164650-45-7
Molecular Formula:C18H22F2N4O
Molecular Weight:348.3902864
Hs Code.:
UNII:Y39X6DMF5W
DSSTox Substance ID:DTXSID401111757
Nikkaji Number:J1.186.660C
Mol file:164650-45-7.mol

Synonyms:S,S-Efinaconazole;164650-45-7;(2S,3S)-2-(2,4-DIFLUOROPHENYL)-3-(4-METHYLIDENEPIPERIDIN-1-YL)-1-(1,2,4-TRIAZOL-1-YL)BUTAN-2-OL;2S,3S-Efinaconazole;Y39X6DMF5W;Efinaconazole, (2S,3S)-;SCHEMBL8376515;Efinaconazole (2S,3S)-Isomer;DTXSID401111757;(2S,3S)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol;(2S,3S)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol;(alphaS,betaS)-alpha-(2,4-Difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol;AC-30899;(2S,3S)-2-(2,4-Difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(4H-1,3,4-triazol-4-yl)butan-2-ol;1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaS,betaS)-;1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, [S-(R*,R*)]-

Suppliers and Price of S,S-Efinaconazole

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
ent-Efinaconazole
5mg
$ 750.00

Total 14 raw suppliers

Chemical Property of S,S-Efinaconazole

Chemical Property:

Boiling Point:512.2±60.0 °C(Predicted)
PKA:12.11±0.29(Predicted)
Density:1.26±0.1 g/cm3(Predicted)
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:348.17616766
Heavy Atom Count:25
Complexity:470

Purity/Quality:

98%Min ^*data from raw suppliers

ent-Efinaconazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3
Isomeric SMILES:C[C@@H]([C@@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3
Uses ent-Efinaconazole is the S,S-enantiomer of Efinaconazole (E435070); a topical antifungal for onychomycosis.

Technology Process of S,S-Efinaconazole

There total 70 articles about S,S-Efinaconazole 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: 98.0%

: 148133-82-8
4-methylene piperidine

: 124627-86-7,132563-70-3,132563-77-0,135270-07-4,135270-10-9,135270-13-2,141611-70-3,127000-90-2
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole

: 164650-45-7,164650-44-6
(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Guidance literature:: With strontium perchlorate hydrate; In acetonitrile; at 90 ℃; for 1.5h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 98.0%

: 164650-61-7
para-toluenesulphonic acid efinaconazole salt

: 164650-45-7,164650-44-6
(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Guidance literature:: With sodium hydroxide; In ethanol; water; at 0 - 5 ℃; pH=11;

Reference yield: 96.0%

: 124627-86-7,132563-70-3,132563-77-0,135270-07-4,135270-10-9,135270-13-2,141611-70-3,127000-90-2
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole

: 144230-50-2
4-methylenepiperidine monohydrochloride

: 164650-45-7,164650-44-6
(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Guidance literature:: 4-methylenepiperidine monohydrochloride; With sodium hydroxide; In acetonitrile; at 25 ℃; for 0.5h;

1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole; With lithium iodide; In acetonitrile; at 85 ℃; for 5h; Reagent/catalyst;