24-Fluorocalcitriol

Base Information

Chemical Name:24-Fluorocalcitriol
CAS No.:86677-62-5
Molecular Formula:C27H43 F O3
Molecular Weight:434.63
Hs Code.:
Metabolomics Workbench ID:35766
Mol file:86677-62-5.mol

Synonyms:24-F-1,25(OH)2D3;24-fluoro-1,25-dihydroxycholecalciferol;24-fluorocalcitriol

Suppliers and Price of 24-Fluorocalcitriol

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 24-Fluorocalcitriol

Chemical Property:

Vapor Pressure:8.05E-16mmHg at 25°C
Boiling Point:579.1°C at 760 mmHg
Flash Point:304°C
PSA：60.69000
Density:1.09g/cm³
LogP:5.65270
XLogP3:4.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:434.31962339
Heavy Atom Count:31
Complexity:724

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 24-Fluorocalcitriol

There total 19 articles about 24-Fluorocalcitriol 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: 88.0%

: 112139-04-5
(1α,3β,5Z,7E,24R)-24-fluoro-1,3-bis<<(1,1-dimethylethyl)dimethylsilyl>oxy>-25-<(trimethylsilyl)oxy>-9,10-secocholesta-5,7,10(19)-triene

: 86677-62-5
1α,25-dihydroxy-24(R)-fluorocholecalciferol

Guidance literature:: With H⁺ form of cationic exchange resin AG 50W-X₄; In methanol; dichloromethane; at 20 ℃; for 16h;
DOI:10.1021/jo00240a021

Reference yield:

: 93489-57-7
<3aR-(3aα,4β,7aβ)>-7a-methyl-4-hydroxy-octahydro-1H-inden-1-one

: 86677-62-5
1α,25-dihydroxy-24(R)-fluorocholecalciferol

Guidance literature:: Multi-step reaction with 12 steps

1: 100 percent / p-toluenesulfonic acid monohydrate / tetrahydrofuran / 19 h / 25 °C

2: 70 percent / EtONa / ethanol / 22 h / 80 °C

3: 88 percent / H₂ / PtO₂ / ethanol / 3 h / 760 Torr

4: 1.) LDA, 2.) HMPA / 1.) THF, hexane, -30 deg C, 1 h, 2.) from -78 to 25 deg C, 2.5 h

5: 100 percent / LiAlH₄ / diethyl ether / 1.3 h / 35 °C

6: 99 percent / pyridine / 18 h / 0 °C

7: 80 percent / LiAlH₄ / tetrahydrofuran / 0.83 h / 68 °C

8: 70 percent / p-toluenesulfonic acid monohydrate / methanol / 3 h / 25 °C

9: 100 percent / pyridinium chlorochromate / CH₂Cl₂ / 1.3 h / 25 °C

10: 98 percent / CH₂Cl₂ / 16 h / 25 °C

11: 1.) n-BuLi / 1.) THF, hexane, -70 deg C, 5 min, 2.) -70 deg C, 1.25 h

12: 88 percent / H⁺ form of cationic exchange resin AG 50W-X₄ / methanol; CH₂Cl₂ / 16 h / 20 °C

With pyridine; N,N,N,N,N,N-hexamethylphosphoric triamide; lithium aluminium tetrahydride; n-butyllithium; H⁺ form of cationic exchange resin AG 50W-X₄; hydrogen; sodium ethanolate; toluene-4-sulfonic acid; pyridinium chlorochromate; lithium diisopropyl amide; platinum(IV) oxide; In tetrahydrofuran; methanol; diethyl ether; ethanol; dichloromethane;
DOI:10.1021/jo00240a021

Reference yield:

: 112138-94-0
<3aR-(3aα,4β,7aβ)>-octahydro-4-<(tetrahydro-2H-pyran-2-yl)oxy>-7a-methyl-1H-inden-1-one

: 86677-62-5
1α,25-dihydroxy-24(R)-fluorocholecalciferol

Guidance literature:: Multi-step reaction with 11 steps

1: 70 percent / EtONa / ethanol / 22 h / 80 °C

2: 88 percent / H₂ / PtO₂ / ethanol / 3 h / 760 Torr

3: 1.) LDA, 2.) HMPA / 1.) THF, hexane, -30 deg C, 1 h, 2.) from -78 to 25 deg C, 2.5 h

4: 100 percent / LiAlH₄ / diethyl ether / 1.3 h / 35 °C

5: 99 percent / pyridine / 18 h / 0 °C

6: 80 percent / LiAlH₄ / tetrahydrofuran / 0.83 h / 68 °C

7: 70 percent / p-toluenesulfonic acid monohydrate / methanol / 3 h / 25 °C

8: 100 percent / pyridinium chlorochromate / CH₂Cl₂ / 1.3 h / 25 °C

9: 98 percent / CH₂Cl₂ / 16 h / 25 °C

10: 1.) n-BuLi / 1.) THF, hexane, -70 deg C, 5 min, 2.) -70 deg C, 1.25 h

11: 88 percent / H⁺ form of cationic exchange resin AG 50W-X₄ / methanol; CH₂Cl₂ / 16 h / 20 °C

With pyridine; N,N,N,N,N,N-hexamethylphosphoric triamide; lithium aluminium tetrahydride; n-butyllithium; H⁺ form of cationic exchange resin AG 50W-X₄; hydrogen; sodium ethanolate; toluene-4-sulfonic acid; pyridinium chlorochromate; lithium diisopropyl amide; platinum(IV) oxide; In tetrahydrofuran; methanol; diethyl ether; ethanol; dichloromethane;
DOI:10.1021/jo00240a021