1alpha,25-Dihydroxy-23-azavitamin D3/1alpha,25-dihydroxy-23-azacholecalciferol

Base Information

Chemical Name:1alpha,25-Dihydroxy-23-azavitamin D3/1alpha,25-dihydroxy-23-azacholecalciferol
CAS No.:87407-70-3
Molecular Formula:C₂₆H₄₃NO₃
Molecular Weight:417.632
Hs Code.:
DSSTox Substance ID:DTXSID801098947
Metabolomics Workbench ID:35621
Mol file:87407-70-3.mol

Synonyms:1 alpha,25-dihydroxy-23-azavitamin D3;1,25-DAVD3;1,25-dihydroxy-23-azavitamin D3

Suppliers and Price of 1alpha,25-Dihydroxy-23-azavitamin D3/1alpha,25-dihydroxy-23-azacholecalciferol

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
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Total 0 raw suppliers

Chemical Property of 1alpha,25-Dihydroxy-23-azavitamin D3/1alpha,25-dihydroxy-23-azacholecalciferol

Chemical Property:

Vapor Pressure:3.54E-16mmHg at 25°C
Boiling Point:586.1°C at 760 mmHg
Flash Point:79.6°C
PSA：72.72000
Density:1.08g/cm³
LogP:4.51490
XLogP3:3.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:417.32429423
Heavy Atom Count:30
Complexity:694

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CNCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
Isomeric SMILES:C[C@H](CNCC(C)(C)O)[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 1alpha,25-Dihydroxy-23-azavitamin D3/1alpha,25-dihydroxy-23-azacholecalciferol

There total 13 articles about 1alpha,25-Dihydroxy-23-azavitamin D3/1alpha,25-dihydroxy-23-azacholecalciferol 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:

: 81481-22-3
(20S)-20-methyl-5,16-pregnadien-1α,3β,21-triol 1,3-diacetate

: 87407-70-3
1α,25-dihydroxy-23-azavitamin D3

Guidance literature:: Multi-step reaction with 12 steps

1: 1.72 g / H₂ / 5percent Pt/C / ethyl acetate / Ambient temperature

2: 1.70 g / Amberlyst-15 / CH₂Cl₂ / 15 h / Ambient temperature

3: 1.13 g / LiAlH₄ / tetrahydrofuran / 1 h / Heating

4: 74 percent / imidazole, hydroxybenzotriazole / dimethylformamide / 48 h / 65 - 70 °C

5: 71 percent / Me₂AlCl / CH₂Cl₂ / 15 h / Ambient temperature

6: 84 percent / 4,4-dimethylaminopyridine, pyridine / 20 h / Ambient temperature

7: 1.) N-bromosuccinimide, 2.) γ-collidine / 1.) n-hexane, RT, 1.25 h, 2.) xylene, reflux, 1 h

8: K₂CO₃ / ethanol / 21 h / 30 °C

9: 67 mg / pyridine / 0.75 h / Ambient temperature

10: 65 percent / hexamethylphosphoramide (HMPA), NaH / tetrahydrofuran / 3 h / 60 °C

11: 1.) EtOH, irradiation, 0 deg C, 4.5 min, 2.) EtOH, reflux, 1.5 h

12: n-Bu₄NF / tetrahydrofuran / 15 h / Ambient temperature

With pyridine; 1H-imidazole; 2,4,6-trimethyl-pyridine; N,N,N,N,N,N-hexamethylphosphoric triamide; dmap; N-Bromosuccinimide; lithium aluminium tetrahydride; amberlyst-15; tetrabutyl ammonium fluoride; hydrogen; dimethylaluminum chloride; sodium hydride; potassium carbonate; benzotriazol-1-ol; platinum on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1248/cpb.39.3221

Reference yield:

: 77308-29-3
(17Z)-5,17-pregnadiene-1α,3β-diol diacetate

: 87407-70-3
1α,25-dihydroxy-23-azavitamin D3

Guidance literature:: Multi-step reaction with 13 steps

1: 89 percent / BF₃*OEt₂ / CH₂Cl₂ / 1.5 h / Ambient temperature

2: 1.72 g / H₂ / 5percent Pt/C / ethyl acetate / Ambient temperature

3: 1.70 g / Amberlyst-15 / CH₂Cl₂ / 15 h / Ambient temperature

4: 1.13 g / LiAlH₄ / tetrahydrofuran / 1 h / Heating

5: 74 percent / imidazole, hydroxybenzotriazole / dimethylformamide / 48 h / 65 - 70 °C

6: 71 percent / Me₂AlCl / CH₂Cl₂ / 15 h / Ambient temperature

7: 84 percent / 4,4-dimethylaminopyridine, pyridine / 20 h / Ambient temperature

8: 1.) N-bromosuccinimide, 2.) γ-collidine / 1.) n-hexane, RT, 1.25 h, 2.) xylene, reflux, 1 h

9: K₂CO₃ / ethanol / 21 h / 30 °C

10: 67 mg / pyridine / 0.75 h / Ambient temperature

11: 65 percent / hexamethylphosphoramide (HMPA), NaH / tetrahydrofuran / 3 h / 60 °C

12: 1.) EtOH, irradiation, 0 deg C, 4.5 min, 2.) EtOH, reflux, 1.5 h

13: n-Bu₄NF / tetrahydrofuran / 15 h / Ambient temperature

With pyridine; 1H-imidazole; 2,4,6-trimethyl-pyridine; N,N,N,N,N,N-hexamethylphosphoric triamide; dmap; N-Bromosuccinimide; lithium aluminium tetrahydride; amberlyst-15; boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; hydrogen; dimethylaluminum chloride; sodium hydride; potassium carbonate; benzotriazol-1-ol; platinum on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1248/cpb.39.3221

Reference yield:

: 1-((S)-2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propylamino)-2-methyl-propan-2-ol

: 87407-70-3
1α,25-dihydroxy-23-azavitamin D3

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 15h; Yield given; Ambient temperature;
DOI:10.1248/cpb.39.3221