(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Base Information

Chemical Name:(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CAS No.:106315-28-0
Molecular Formula:C25H40 O4
Molecular Weight:404.59
Hs Code.:
Mol file:106315-28-0.mol

(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Synonyms:1,25-(OH)2-21-nor-20-oxaD3;1,25-dihydroxy-21-nor-20-oxavitamin D3

Suppliers and Price of (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Supply Marketing:

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

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Chemical Property of (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Chemical Property:

Vapor Pressure:3.24E-15mmHg at 25°C
Boiling Point:567°Cat760mmHg
Flash Point:296.7°C
PSA：69.92000
Density:1.1g/cm³
LogP:4.44750
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:404.29265975
Heavy Atom Count:29
Complexity:662

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2OCCCC(C)(C)O
Isomeric SMILES:C[C@]12CCC/C(=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CCC2OCCCC(C)(C)O

Technology Process of (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

There total 13 articles about (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol 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:

: 20998-18-9
1α,3β-dihydroxy-androst-5-en-17-one

: 106315-28-0
1alpha,25-Dihydroxy-21-nor-20-oxavitamin D₃

Guidance literature:: Multi-step reaction with 12 steps

2: NaBH₄ / ethanol / 2 h / Ambient temperature

3: 66 percent / NaH / xylene / 20 h / Heating

4: 78 percent / Amberlyst-15 / methanol / 15 h / Ambient temperature

5: 66 percent / tetrahydrofuran / 0.5 h / -10 °C

7: NBS, NaHCO₃ / hexane / 1 h / Heating

8: γ-collidine / xylene / 1.5 h / Heating

9: CH₂Cl₂ / 1 h / Ambient temperature

10: 48 percent / LiAlH₄ / tetrahydrofuran / 1 h / Heating

11: ethanol / 0 °C / Irradiation

12: tetrahydrofuran / 1.5 h / Heating

With 2,4,6-trimethyl-pyridine; sodium tetrahydroborate; N-Bromosuccinimide; lithium aluminium tetrahydride; amberlyst-15; sodium hydride; sodium hydrogencarbonate; In tetrahydrofuran; methanol; ethanol; hexane; dichloromethane; xylene;
DOI:10.1248/cpb.34.2286

Reference yield:

: 53-43-0
dehydroepiandrosterone

: 106315-28-0
1alpha,25-Dihydroxy-21-nor-20-oxavitamin D₃

Guidance literature:: Multi-step reaction with 13 steps

1: microbiological 1α-hydroxylation

3: NaBH₄ / ethanol / 2 h / Ambient temperature

4: 66 percent / NaH / xylene / 20 h / Heating

5: 78 percent / Amberlyst-15 / methanol / 15 h / Ambient temperature

6: 66 percent / tetrahydrofuran / 0.5 h / -10 °C

8: NBS, NaHCO₃ / hexane / 1 h / Heating

9: γ-collidine / xylene / 1.5 h / Heating

10: CH₂Cl₂ / 1 h / Ambient temperature

11: 48 percent / LiAlH₄ / tetrahydrofuran / 1 h / Heating

12: ethanol / 0 °C / Irradiation

13: tetrahydrofuran / 1.5 h / Heating

With 2,4,6-trimethyl-pyridine; sodium tetrahydroborate; N-Bromosuccinimide; lithium aluminium tetrahydride; amberlyst-15; sodium hydride; sodium hydrogencarbonate; In tetrahydrofuran; methanol; ethanol; hexane; dichloromethane; xylene;
DOI:10.1248/cpb.34.2286

Reference yield:

: 106351-03-5
5-((1S,3R,8S,9S,10R,13S,14S,17S)-1,3-Dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yloxy)-pentan-2-one

: 106315-28-0
1alpha,25-Dihydroxy-21-nor-20-oxavitamin D₃

Guidance literature:: Multi-step reaction with 8 steps

1: 66 percent / tetrahydrofuran / 0.5 h / -10 °C

3: NBS, NaHCO₃ / hexane / 1 h / Heating

4: γ-collidine / xylene / 1.5 h / Heating

5: CH₂Cl₂ / 1 h / Ambient temperature

6: 48 percent / LiAlH₄ / tetrahydrofuran / 1 h / Heating

7: ethanol / 0 °C / Irradiation

8: tetrahydrofuran / 1.5 h / Heating

With 2,4,6-trimethyl-pyridine; N-Bromosuccinimide; lithium aluminium tetrahydride; sodium hydrogencarbonate; In tetrahydrofuran; ethanol; hexane; dichloromethane; xylene;
DOI:10.1248/cpb.34.2286