1,3-Cyclohexanediol, 2-methylene-5-((2E)-2-((1R,3aS,7aR)-octahydro-1-((1S)-5-hydroxy-1,5-dimethylhexyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R,3R)-

Base Information

Chemical Name:1,3-Cyclohexanediol, 2-methylene-5-((2E)-2-((1R,3aS,7aR)-octahydro-1-((1S)-5-hydroxy-1,5-dimethylhexyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R,3R)-
CAS No.:213250-70-5
Molecular Formula:C₂₇H₄₄O₃
Molecular Weight:416.645
Hs Code.:
UNII:O9W659OF5L

1,3-Cyclohexanediol, 2-methylene-5-((2E)-2-((1R,3aS,7aR)-octahydro-1-((1S)-5-hydroxy-1,5-dimethylhexyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R,3R)-

Synonyms:2-methylene-19-nor-(20S)-1alpha,25-dihydroxyvitamin D3

Suppliers and Price of 1,3-Cyclohexanediol, 2-methylene-5-((2E)-2-((1R,3aS,7aR)-octahydro-1-((1S)-5-hydroxy-1,5-dimethylhexyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R,3R)-

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

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Chemical Property of 1,3-Cyclohexanediol, 2-methylene-5-((2E)-2-((1R,3aS,7aR)-octahydro-1-((1S)-5-hydroxy-1,5-dimethylhexyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R,3R)-

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:416.32904526
Heavy Atom Count:30
Complexity:672

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C
Isomeric SMILES:C[C@@H](CCCC(C)(C)O)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C

Technology Process of 1,3-Cyclohexanediol, 2-methylene-5-((2E)-2-((1R,3aS,7aR)-octahydro-1-((1S)-5-hydroxy-1,5-dimethylhexyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R,3R)-

There total 14 articles about 1,3-Cyclohexanediol, 2-methylene-5-((2E)-2-((1R,3aS,7aR)-octahydro-1-((1S)-5-hydroxy-1,5-dimethylhexyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R,3R)- 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: 99.0%

: 213250-69-2
(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-4-methylene-cyclohexylidene]-eth-(E)-ylidene]-1-((S)-1,5-dimethyl-5-triethylsilanyloxy-hexyl)-7a-methyl-octahydro-indene

: 213250-70-5
(20S)-2-methylene-19-nor-1α,25-dihydroxyvitamin D₃

Guidance literature:: With AG 50W-X₄ cation-exchange resin; In methanol; benzene; for 17h; Ambient temperature;
DOI:10.1021/jm9802618

Reference yield:

: 213250-61-4
(3R,5R)-3,5-bis[(tert-butyldimethylsilyl)oxy]-4-methylenecyclohexanone

: 213250-70-5
(20S)-2-methylene-19-nor-1α,25-dihydroxyvitamin D₃

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) diisopropylamine, n-BuLi / 1.) THF, hexane, -78 deg C, 15 min, 2.) THF, hexane, -78 deg C, 2 h

2: 97 percent / diisobutylaluminum hydride / toluene; CH₂Cl₂ / 1.42 h / -78 - -46 °C

3: n-BuLi / tetrahydrofuran; hexane / 0.08 h / 0 °C

4: 1.) n-BuLi / 1.) THF, hexane, 0 deg C, 2.) THF, hexane, 0 deg C, 30 min

5: 10 percent aq. H₂O₂ / CH₂Cl₂ / 1 h / 0 °C

6: 1.) n-BuLi / 1.) THF, hexane, 0 deg C, 2.) THF, hexane, from -78 deg C to 0 deg C, 19 h

7: 99 percent / AG 50W-X₄ cation-exchange resin / benzene; methanol / 17 h / Ambient temperature

With n-butyllithium; AG 50W-X₄ cation-exchange resin; dihydrogen peroxide; diisobutylaluminium hydride; diisopropylamine; In tetrahydrofuran; methanol; hexane; dichloromethane; toluene; benzene;
DOI:10.1021/jm9802618

Reference yield:

: 213250-63-6
2-((3R,5R)-3,5-bis(tertbutyldimethylsilyloxy)-4-methylenecyclohexylidene)ethanol

: 213250-70-5
(20S)-2-methylene-19-nor-1α,25-dihydroxyvitamin D₃

Guidance literature:: Multi-step reaction with 5 steps

1: n-BuLi / tetrahydrofuran; hexane / 0.08 h / 0 °C

2: 1.) n-BuLi / 1.) THF, hexane, 0 deg C, 2.) THF, hexane, 0 deg C, 30 min

3: 10 percent aq. H₂O₂ / CH₂Cl₂ / 1 h / 0 °C

4: 1.) n-BuLi / 1.) THF, hexane, 0 deg C, 2.) THF, hexane, from -78 deg C to 0 deg C, 19 h

5: 99 percent / AG 50W-X₄ cation-exchange resin / benzene; methanol / 17 h / Ambient temperature

With n-butyllithium; AG 50W-X₄ cation-exchange resin; dihydrogen peroxide; In tetrahydrofuran; methanol; hexane; dichloromethane; benzene;
DOI:10.1021/jm9802618