24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3

Base Information

• Chemical Name: 24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3
• CAS No.: 106647-61-4
• Molecular Formula: C₂₉H₄₆F₂O₂
• Molecular Weight: 464.68
• Mol file: 106647-61-4.mol

Synonyms:24,24-difluoro-25-hydroxy-26,27-dimethylvitamin D3;DFDM-calcifediol

Chemical Property of 24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3

Chemical Property:

• Vapor Pressure: 3.17E-15mmHg at 25°C
• Boiling Point: 567.2°Cat760mmHg
• Flash Point: 296.8°C
• PSA: 40.46000
• Density: 1.06g/cm³
• LogP: 7.75930
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 464.34658703
• Heavy Atom Count: 33
• Complexity: 764

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(C(CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C)(F)F)O
• Isomeric SMILES: CCC(CC)(C(CC[C@@H](C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(F)F)O

Technology Process of 24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3

There total 14 articles about 24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3 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:

methyl 3β-hydroxy-24-nor-5-cholen-23-oate (69454-96-2) → 24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3 (106647-61-4)

Guidance literature:

Multi-step reaction with 14 steps

1: diisopropylethylamine / CH₂Cl₂ / 16 h / Ambient temperature

2: 96 percent / lithium aluminum hydride / tetrahydrofuran / 3 h / Ambient temperature

3: 90 percent / sodium acetate, pyridinium chlorochromate (PCC) / CH₂Cl₂ / 4 h / Ambient temperature

4: 64 percent / zinc dust / tetrahydrofuran / 0.5 h / Heating

5: 98 percent / 1,2-dichloro-ethane / 17 h / 72 °C

6: 94 percent / tributyltin hydride / toluene / 0.92 h / Heating

7: tetrahydrofuran / 0.5 h / -78 °C

8: 25 percent / pyridinium chlorochromate, powdered 3A molecular sieves / CH₂Cl₂ / 6.5 h / Ambient temperature

9: 100 percent / p-toluenesulfonic acid / methanol; tetrahydrofuran / 60 h / Ambient temperature

10: 92 percent / pyridine / 16 h / Ambient temperature

12: 81 percent / lithium aluminum hydride / tetrahydrofuran / 3 h / Heating

13: diethyl ether / 1.11 h / 0 °C / Irradiation

14: ethanol / 2 h / Heating

With lithium aluminium tetrahydride; 3 A molecular sieve; tri-n-butyl-tin hydride; sodium acetate; toluene-4-sulfonic acid; N-ethyl-N,N-diisopropylamine; pyridinium chlorochromate; zinc; In tetrahydrofuran; pyridine; methanol; diethyl ether; ethanol; dichloromethane; 1,2-dichloro-ethane; toluene;

DOI:10.1021/jm00164a003

Reference yield:

3β-acetoxybisnor-5-cholenic acid (1474-14-2) → 24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3 (106647-61-4)

Guidance literature:

Multi-step reaction with 18 steps

1: thionyl chloride / 3 h / Ambient temperature

2: diethyl ether; benzene / 15 h / Ambient temperature

3: silver benzoate, triethylamine / CH₂Cl₂ / Ambient temperature; overnight

4: 0.1 M potassium hydroxide / methanol; tetrahydrofuran / 4 h / Ambient temperature

5: diisopropylethylamine / CH₂Cl₂ / 16 h / Ambient temperature

6: 96 percent / lithium aluminum hydride / tetrahydrofuran / 3 h / Ambient temperature

7: 90 percent / sodium acetate, pyridinium chlorochromate (PCC) / CH₂Cl₂ / 4 h / Ambient temperature

8: 64 percent / zinc dust / tetrahydrofuran / 0.5 h / Heating

9: 98 percent / 1,2-dichloro-ethane / 17 h / 72 °C

10: 94 percent / tributyltin hydride / toluene / 0.92 h / Heating

11: tetrahydrofuran / 0.5 h / -78 °C

12: 25 percent / pyridinium chlorochromate, powdered 3A molecular sieves / CH₂Cl₂ / 6.5 h / Ambient temperature

13: 100 percent / p-toluenesulfonic acid / methanol; tetrahydrofuran / 60 h / Ambient temperature

14: 92 percent / pyridine / 16 h / Ambient temperature

16: 81 percent / lithium aluminum hydride / tetrahydrofuran / 3 h / Heating

17: diethyl ether / 1.11 h / 0 °C / Irradiation

18: ethanol / 2 h / Heating

With potassium hydroxide; lithium aluminium tetrahydride; thionyl chloride; 3 A molecular sieve; tri-n-butyl-tin hydride; sodium acetate; silver benzoate; toluene-4-sulfonic acid; triethylamine; N-ethyl-N,N-diisopropylamine; pyridinium chlorochromate; zinc; In tetrahydrofuran; pyridine; methanol; diethyl ether; ethanol; dichloromethane; 1,2-dichloro-ethane; toluene; benzene;

DOI:10.1021/jm00164a003

Reference yield:

methyl 3β-acetoxy-24-norchol-5-en-23-oate (33168-65-9) → 24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3 (106647-61-4)

Guidance literature:

Multi-step reaction with 15 steps

1: 0.1 M potassium hydroxide / methanol; tetrahydrofuran / 4 h / Ambient temperature

2: diisopropylethylamine / CH₂Cl₂ / 16 h / Ambient temperature

3: 96 percent / lithium aluminum hydride / tetrahydrofuran / 3 h / Ambient temperature

4: 90 percent / sodium acetate, pyridinium chlorochromate (PCC) / CH₂Cl₂ / 4 h / Ambient temperature

5: 64 percent / zinc dust / tetrahydrofuran / 0.5 h / Heating

6: 98 percent / 1,2-dichloro-ethane / 17 h / 72 °C

7: 94 percent / tributyltin hydride / toluene / 0.92 h / Heating

8: tetrahydrofuran / 0.5 h / -78 °C

9: 25 percent / pyridinium chlorochromate, powdered 3A molecular sieves / CH₂Cl₂ / 6.5 h / Ambient temperature

10: 100 percent / p-toluenesulfonic acid / methanol; tetrahydrofuran / 60 h / Ambient temperature

11: 92 percent / pyridine / 16 h / Ambient temperature

13: 81 percent / lithium aluminum hydride / tetrahydrofuran / 3 h / Heating

14: diethyl ether / 1.11 h / 0 °C / Irradiation

15: ethanol / 2 h / Heating

With potassium hydroxide; lithium aluminium tetrahydride; 3 A molecular sieve; tri-n-butyl-tin hydride; sodium acetate; toluene-4-sulfonic acid; N-ethyl-N,N-diisopropylamine; pyridinium chlorochromate; zinc; In tetrahydrofuran; pyridine; methanol; diethyl ether; ethanol; dichloromethane; 1,2-dichloro-ethane; toluene;

DOI:10.1021/jm00164a003

upstream raw materials:

(R)-3-{(Z)-2-[(1R,3aR,7aR)-1-((R)-5-Ethyl-4,4-difluoro-5-hydroxy-1-methyl-heptyl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]-vinyl}-4-methyl-cyclohex-3-enol

methyl 3β-hydroxy-24-nor-5-cholen-23-oate

3β-acetoxybisnor-5-cholenic acid

3β-acetoxy-23,24-dinorchol-5-en-22-oyl chloride

Downstream raw materials:

Acetic acid (1R,5S)-3-[2-[(1R,3aS,7aR)-1-((R)-5-ethyl-4,4-difluoro-5-hydroxy-1-methyl-heptyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(E)-ylidene]-5-hydroxy-4-methylene-cyclohexyl ester

24,24-difluoro-1α,25-dihydroxy-26,27-dimethylvitamin D3 3-acetate

5,6-trans-24,24-difluoro-1α,25-dihydroxy-26,27-dimethylvitamin D3

26,27-Dimethyl-24,24-difluoro-1,25-dihydroxyvitamin D₃

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