1,25-Dihydroxy-16-ene-23-yne-vitamin D3

Base Information

Chemical Name:1,25-Dihydroxy-16-ene-23-yne-vitamin D3
CAS No.:118694-43-2
Deprecated CAS:136236-48-1,205672-94-2
Molecular Formula:C₂₇H₃₈O₃
Molecular Weight:410.597
Hs Code.:
UNII:O13QTC8612
DSSTox Substance ID:DTXSID701318398
Wikidata:Q27285188
NCI Thesaurus Code:C1883,C63681
Metabolomics Workbench ID:35647
ChEMBL ID:CHEMBL284121
Mol file:118694-43-2.mol

Synonyms:1,25(OH)2-16-ene-23-yne-D3;1,25-(OH)2-16ene-23yne-D3;1,25-dihydroxy-16-ene-23-yne-vitamin D3;1,25-dihydroxy-delta(16)-23-yne-vitamin D3;1alpha,25-dihydroxy-16-ene-23-yne-20-epi-vitamin D(3);1alpha,25-dihydroxy-16ene, 23yne-vitamin D3;Ro 23-7553;Ro 23-7553, (3beta,5Z,7E)-isomer;Ro-23-7553

Suppliers and Price of 1,25-Dihydroxy-16-ene-23-yne-vitamin D3

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 1,25-Dihydroxy-16-ene-23-yne-vitamin D3

Chemical Property:

Vapor Pressure:2.1E-16mmHg at 25°C
Boiling Point:590.5°Cat760mmHg
Flash Point:254.4°C
PSA：60.69000
Density:1.11g/cm³
LogP:4.84800
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:410.28209507
Heavy Atom Count:30
Complexity:844

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC#CC(C)(C)O)C1=CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
Isomeric SMILES:C[C@H](CC#CC(C)(C)O)C1=CC[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 1,25-Dihydroxy-16-ene-23-yne-vitamin D3

There total 12 articles about 1,25-Dihydroxy-16-ene-23-yne-vitamin 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: 82.0%

: 1219444-07-1
(3S,5R)-3,5-bis(triethylsilyloxy)oct-1-en-7-yn-2-yl trifluoromethanesulfonate

: (R)-2-methyl-6-[(3aS,7aS,E)-3a-methyl-7-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)-3a,4,5,6,7,7a-hexahydro-1H-inden-3-yl]hept-3-yn-2-ol

: 118694-43-2
Ro 23-7553

Guidance literature:: (3S,5R)-3,5-bis(triethylsilyloxy)oct-1-en-7-yn-2-yl trifluoromethanesulfonate; (R)-2-methyl-6-[(3aS,7aS,E)-3a-methyl-7-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)-3a,4,5,6,7,7a-hexahydro-1H-inden-3-yl]hept-3-yn-2-ol; With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; In tetrahydrofuran; water; at 23 ℃; for 0.75h; Inert atmosphere; Darkness;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 23 ℃; for 0.333333h; Inert atmosphere;
DOI:10.1039/c8ob01002a