Unii-T6435K3vrk

Base Information

• Chemical Name: Unii-T6435K3vrk
• CAS No.: 241151-12-2
• Molecular Formula: C₂₁H₃₀F₆O₃
• Molecular Weight: 444.458
• UNII: T6435K3VRK
• Nikkaji Number: J1.455.450E

Synonyms:UNII-T6435K3VRK;T6435K3VRK;BAL-2299;RO65-2299;RO-65-2299;(1R,3R)-5-((2E,9Z)-12,12,12-Trifluoro-11-hydroxy-7,7-dimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene)cyclohexane-1,3-diol;1,3-Cyclohexanediol, 5-((2E,9Z)-12,12,12-trifluoro-11-hydroxy-7,7-dimethyl-11-(trifluoromethyl)-2,9-dodecadienylidene)-, (1R,3R)-;241151-12-2;Retiferol;SCHEMBL6651623;LS-191404;(1R,3R)-5-[(2E,9Z) 12,12,12-trifluoro-11-hydroxy-7,7-dimethyl-11-trifluoromethyl-dodeca-2,9-dienylidene]-cyclohexane-1,3-diol;(1R,3R)-5-[(2E,9Z)12,12,12-trifluoro-11-hydroxy-7,7-dimethyl-11-trifluoromethyl-dodeca-2,9-dienylidene]-cyclohexane-1,3-diol

Chemical Property of Unii-T6435K3vrk

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 444.20991379
• Heavy Atom Count: 30
• Complexity: 606

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CCCC=CC=C1CC(CC(C1)O)O)CC=CC(C(F)(F)F)(C(F)(F)F)O
• Isomeric SMILES: CC(C)(CCC/C=C/C=C1C[C@H](C[C@@H](C1)O)O)C/C=C\C(C(F)(F)F)(C(F)(F)F)O

Technology Process of Unii-T6435K3vrk

There total 33 articles about Unii-T6435K3vrk 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: 85.0%

(3S,5S)-3,5-diacetoxy-cyclohexan-1-one (332097-67-3) + (2E,9Z)-2-(12,12,12-trifluoro-7,7-dimethyl-11-triethylsilanyloxy-11-trifluoromethyl-dodeca-2,9-diene-1-sulfonyl)-benzothiazole (332097-86-6) → (1R,3R)-5-[(2E,9Z)-12,12,12-trifluoro-11-hydroxy-7,7-dimethyl-11-trifluoromethyl-dodeca-2,9-dienylidene]cyclohexane-1,3-diol (241151-12-2)

Guidance literature:

(3S,5S)-3,5-diacetoxy-cyclohexan-1-one; (2E,9Z)-2-(12,12,12-trifluoro-7,7-dimethyl-11-triethylsilanyloxy-11-trifluoromethyl-dodeca-2,9-diene-1-sulfonyl)-benzothiazole; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 22 ℃; for 22h;

With potassium carbonate; In methanol; water; at 22 ℃; for 22h;

DOI:10.1016/S0040-4020(00)01035-8

Reference yield: 60.0%

(1R,3R)-1,3-bis((tert-butyldimethyl)silanyloxy)-5-[2-(diphenylphosphinoyl)-ethylidene]cyclohexane (139356-39-1) + (7Z)-10,10,10-trifluoro-5,5-dimethyl-9-(triethylsilanyloxy)-9-trifluoromethyl-dec-7-en-1-al (332097-61-7) → (1R,3R)-5-((2Z,9Z)-12,12,12-Trifluoro-11-hydroxy-7,7-dimethyl-11-trifluoromethyl-dodeca-2,9-dienylidene)-cyclohexane-1,3-diol (241151-12-2) + (1R,3R)-5-[(2E,9Z)-12,12,12-trifluoro-11-hydroxy-7,7-dimethyl-11-trifluoromethyl-dodeca-2,9-dienylidene]cyclohexane-1,3-diol (241151-12-2)

Guidance literature:

(1R,3R)-1,3-bis((tert-butyldimethyl)silanyloxy)-5-[2-(diphenylphosphinoyl)-ethylidene]cyclohexane; (7Z)-10,10,10-trifluoro-5,5-dimethyl-9-(triethylsilanyloxy)-9-trifluoromethyl-dec-7-en-1-al; With n-butyllithium; In tetrahydrofuran; at -78 - 22 ℃; for 64h;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 45 ℃; for 12h;

DOI:10.1016/S0040-4020(00)01035-8

Reference yield: 60.0%

(1R,3R)-1,3-bis((tert-butyldimethyl)silanyloxy)-5-[2-(diphenylphosphinoyl)-ethylidene]cyclohexane (139356-39-1) + (7Z)-10,10,10-trifluoro-5,5-dimethyl-9-(triethylsilanyloxy)-9-trifluoromethyl-dec-7-en-1-al (332097-61-7) → (1R,3R)-5-((2Z,9Z)-12,12,12-Trifluoro-11-hydroxy-7,7-dimethyl-11-trifluoromethyl-dodeca-2,9-dienylidene)-cyclohexane-1,3-diol (241151-12-2) + (1R,3R)-5-[(2E,9Z)-12,12,12-trifluoro-11-hydroxy-7,7-dimethyl-11-trifluoromethyl-dodeca-2,9-dienylidene]cyclohexane-1,3-diol (241151-12-2)

Guidance literature:

(1R,3R)-1,3-bis((tert-butyldimethyl)silanyloxy)-5-[2-(diphenylphosphinoyl)-ethylidene]cyclohexane; (7Z)-10,10,10-trifluoro-5,5-dimethyl-9-(triethylsilanyloxy)-9-trifluoromethyl-dec-7-en-1-al; With n-butyllithium; In tetrahydrofuran; at -78 - 22 ℃; for 64h;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 45 ℃; for 12h;

DOI:10.1016/S0040-4020(00)01035-8

upstream raw materials:

(1R,3R)-1,3-bis((tert-butyldimethyl)silanyloxy)-5-[2-(diphenylphosphinoyl)-ethylidene]cyclohexane

(7Z)-10,10,10-trifluoro-5,5-dimethyl-9-(triethylsilanyloxy)-9-trifluoromethyl-dec-7-en-1-al

4-methyl-pent-3-en-2-one

(1R,3R)-1,3-diacetoxy-5-hydroxy-cyclohexane

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