26,27-Diethyl-1alpha,25-dihydroxyvitamin D3/26,27-diethyl-1alpha,25-dihydroxycholecalciferol

Base Information

Chemical Name:26,27-Diethyl-1alpha,25-dihydroxyvitamin D3/26,27-diethyl-1alpha,25-dihydroxycholecalciferol
CAS No.:106372-51-4
Molecular Formula:C₃₁H₅₂O₃
Molecular Weight:472.752
Hs Code.:
Metabolomics Workbench ID:36041
Mol file:106372-51-4.mol

Synonyms:1,25-DDPV-D3;1,25-dihydroxy-26,27-dipropylcholecalciferol

Suppliers and Price of 26,27-Diethyl-1alpha,25-dihydroxyvitamin D3/26,27-diethyl-1alpha,25-dihydroxycholecalciferol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 26,27-Diethyl-1alpha,25-dihydroxyvitamin D3/26,27-diethyl-1alpha,25-dihydroxycholecalciferol

Chemical Property:

Vapor Pressure:2.87E-17mmHg at 25°C
Boiling Point:607°Cat760mmHg
PKA:14.43±0.40(Predicted)
Flash Point:246.1°C
PSA：60.69000
Density:1.03g/cm³
LogP:7.26510
XLogP3:6.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:10
Exact Mass:472.39164552
Heavy Atom Count:34
Complexity:744

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(CCC)(CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O
Isomeric SMILES:CCCC(CCC)(CCC[C@@H](C)[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)O

Technology Process of 26,27-Diethyl-1alpha,25-dihydroxyvitamin D3/26,27-diethyl-1alpha,25-dihydroxycholecalciferol

There total 18 articles about 26,27-Diethyl-1alpha,25-dihydroxyvitamin D3/26,27-diethyl-1alpha,25-dihydroxycholecalciferol 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:

: 106372-49-0
26,27-diethylcholest-5-ene-1α,3β,25-triol

: 106372-51-4
1α,25-dihydroxy-26,27-diethylvitamin D₃

Guidance literature:: Multi-step reaction with 5 steps

1: 74 percent / pyridine

2: N-bromosuccinimide / CCl₄ / 0.33 h / Heating

3: tetra-n-butylammonium fluoride / tetra-n-butylammonium bromide / tetrahydrofuran

4: potassium hydroxide / tetrahydrofuran; methanol

With pyridine; potassium hydroxide; N-Bromosuccinimide; tetrabutyl ammonium fluoride; tetrabutylammomium bromide; In tetrahydrofuran; methanol; tetrachloromethane;
DOI:10.1248/cpb.36.2303

Reference yield:

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 106372-51-4
1α,25-dihydroxy-26,27-diethylvitamin D₃

Guidance literature:: Multi-step reaction with 18 steps

1: lithium aluminum hydride / tetrahydrofuran / 18 h / 60 °C

2: dichlorodicyanobenzoquinone / dioxane / 15 h / Ambient temperature

3: p-toluenesulfonic acid / CH₂Cl₂ / 0.5 h / Ambient temperature

4: 72 percent / sodium hydroxide, hydrogen peroxide / methanol; H₂O / 1.5 h / Ambient temperature

5: lithium / liquid ammonia; tetrahydrofuran / 1.5 h / -78 °C

6: N,N-diethylcyclohexylamine / dioxane / 1.) 50 deg C, 6 h; 2.) 80 deg C, 2 h

7: aq. HCl; tetrahydrofuran; methanol / Ambient temperature

8: 73 percent / pyridine / 0.5 h / 0 °C

9: 85 percent / dimethylsulfoxide / 4 h / 90 - 100 °C

10: potassium hydroxide / H₂O; ethanol / 2 h / Heating

11: methanol; diethyl ether / 1 h / Ambient temperature

12: 81 percent / tetrahydrofuran / 1.) 0 deg C, 30 min; 2.) rt, 4.5 h

13: 82 percent / aq. HCl; tetrahydrofuran / 72 h / Ambient temperature

14: 74 percent / pyridine

15: N-bromosuccinimide / CCl₄ / 0.33 h / Heating

16: tetra-n-butylammonium fluoride / tetra-n-butylammonium bromide / tetrahydrofuran

17: potassium hydroxide / tetrahydrofuran; methanol

With pyridine; potassium hydroxide; sodium hydroxide; N-Bromosuccinimide; lithium aluminium tetrahydride; diethyl-cyclohexyl-amine; tetrabutyl ammonium fluoride; dihydrogen peroxide; lithium; 2,3-dicyano-5,6-dichloro-p-benzoquinone; tetrabutylammomium bromide; toluene-4-sulfonic acid; In tetrahydrofuran; 1,4-dioxane; hydrogenchloride; methanol; tetrachloromethane; diethyl ether; ethanol; dichloromethane; ammonia; water; dimethyl sulfoxide;
DOI:10.1248/cpb.36.2303

Reference yield:

: 106372-48-9
1α,3β-bis(methoxymethoxy)-26,27-bisnorcholest-5-en-25-oic acid methyl ester

: 106372-51-4
1α,25-dihydroxy-26,27-diethylvitamin D₃

Guidance literature:: Multi-step reaction with 7 steps

1: 81 percent / tetrahydrofuran / 1.) 0 deg C, 30 min; 2.) rt, 4.5 h

2: 82 percent / aq. HCl; tetrahydrofuran / 72 h / Ambient temperature

3: 74 percent / pyridine

4: N-bromosuccinimide / CCl₄ / 0.33 h / Heating

5: tetra-n-butylammonium fluoride / tetra-n-butylammonium bromide / tetrahydrofuran

6: potassium hydroxide / tetrahydrofuran; methanol

With pyridine; potassium hydroxide; N-Bromosuccinimide; tetrabutyl ammonium fluoride; tetrabutylammomium bromide; In tetrahydrofuran; hydrogenchloride; methanol; tetrachloromethane;
DOI:10.1248/cpb.36.2303