1alpha-Fluorocalcifediol

Base Information

Chemical Name:1alpha-Fluorocalcifediol
CAS No.:74041-09-1
Molecular Formula:C₂₇H₄₃FO₂
Molecular Weight:418.636
Hs Code.:
Mol file:74041-09-1.mol

Synonyms:1 alpha-fluoro-25-hydroxycholecalciferol;1 alpha-fluorocalcifediol;1-fluoro-25-hydroxyvitamin D3;1-fluoro-25-hydroxyvitamin D3, (1alpha,3beta,5Z,7E)-isomer;1-fluoro-25-hydroxyvitamin D3, (3beta,5E,7E)-isomer

Suppliers and Price of 1alpha-Fluorocalcifediol

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 2 raw suppliers

Chemical Property of 1alpha-Fluorocalcifediol

Chemical Property:

Vapor Pressure:1.69E-13mmHg at 25°C
Boiling Point:531.2°C at 760 mmHg
Flash Point:275°C
PSA：40.46000
Density:1.04g/cm³
LogP:6.68190
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:418.32470877
Heavy Atom Count:30
Complexity:691

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)F)O)C
Isomeric SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CC(C3=C)F)O)C

Technology Process of 1alpha-Fluorocalcifediol

There total 13 articles about 1alpha-Fluorocalcifediol 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: 32.0%

: 95511-62-9
1α-fluoro-25-hydroxyvitamin D3 3-acetate

: 74041-09-1,74041-11-5,95586-94-0
1α-fluoro-25-hydroxyvitamin D3

Guidance literature:: With potassium hydroxide; In tetrahydrofuran; methanol; Ambient temperature;
DOI:10.1248/cpb.32.3525

Reference yield:

: 95511-59-4
1α-fluoro-3β,25-dihydroxycholest-5-ene

: 74041-09-1,74041-11-5,95586-94-0
1α-fluoro-25-hydroxyvitamin D3

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / pyridine / 5 h / Ambient temperature

3: 19 percent / benzene; ethanol / 1.) irradiation, 0 deg C, 3min; 2.) reflux, 1h

4: 32 percent / 5percent KOH / methanol; tetrahydrofuran / Ambient temperature

With potassium hydroxide; In tetrahydrofuran; pyridine; methanol; ethanol; benzene;
DOI:10.1248/cpb.32.3525

Reference yield:

: (1R,2R,3R,8S,9S,10R,13R,14S,17R)-1-Fluoro-17-((R)-5-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

: 74041-09-1,74041-11-5,95586-94-0
1α-fluoro-25-hydroxyvitamin D3

Guidance literature:: Multi-step reaction with 8 steps

1: 96 percent / imidazole / dimethylformamide / 4 h / Ambient temperature

3: 95 percent / tributyltinhydride / xylene / 2 h / Heating

4: 77 percent / tetrabutylammonium fluoride / tetrahydrofuran / Ambient temperature

5: 95 percent / pyridine / 5 h / Ambient temperature

7: 19 percent / benzene; ethanol / 1.) irradiation, 0 deg C, 3min; 2.) reflux, 1h

8: 32 percent / 5percent KOH / methanol; tetrahydrofuran / Ambient temperature

With 1H-imidazole; potassium hydroxide; tetrabutyl ammonium fluoride; tri-n-butyl-tin hydride; In tetrahydrofuran; pyridine; methanol; ethanol; N,N-dimethyl-formamide; xylene; benzene;
DOI:10.1248/cpb.32.3525