(3S)-3-[(3E,7E,11E,15Z)-16-ethenyl-3,7,12,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane

Base Information

Chemical Name:(3S)-3-[(3E,7E,11E,15Z)-16-ethenyl-3,7,12,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane
CAS No.:187397-59-7
Molecular Formula:C₃₁H₅₀O
Molecular Weight:438.737
Hs Code.:
DSSTox Substance ID:DTXSID601107712
ChEMBL ID:CHEMBL105938

Synonyms:CHEMBL105938;DTXSID601107712;2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-henicosa-3,7,11,15,19-pentaenyl)-oxirane;BDBM50290988;(3S)-3-[(3E,7E,11E,15Z)-16-Ethenyl-3,7,12,20-tetramethyl-3,7,11,15,19-heneicosapentaen-1-yl]-2,2-dimethyloxirane;187397-59-7

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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 (3S)-3-[(3E,7E,11E,15Z)-16-ethenyl-3,7,12,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane

Chemical Property:

XLogP3:10.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:16
Exact Mass:438.386166214
Heavy Atom Count:32
Complexity:720

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC1C(O1)(C)C)C)C=C)C
Isomeric SMILES:CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@H]1C(O1)(C)C)/C)/C=C)C

Technology Process of (3S)-3-[(3E,7E,11E,15Z)-16-ethenyl-3,7,12,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane

There total 27 articles about (3S)-3-[(3E,7E,11E,15Z)-16-ethenyl-3,7,12,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane 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:

: 158648-70-5
(20S)-(4E,8E,12E,16E)-20,21-Epoxy-4,8,13,17,21-pentamethyl-4,8,12,16-docosatetraen-1-ol

: 187397-59-7,145919-42-2
(3S)-(6E,10E,14E,18Z)-2,3-Epoxy-2,6,10,15,23-pentamethyl-19-vinyl-6,10,14,18,22-tetracosapentaene

Guidance literature:: Multi-step reaction with 5 steps

1: 92 percent / PDC, NaOAc / CH₂Cl₂ / 4 h / Ambient temperature

2: 96 percent / KN(TMS)2, 18-crown-6 / tetrahydrofuran / 2.5 h / -78 °C

3: LiAlH₄ / diethyl ether / 1 h / 0 °C

4: MnO₂, Na₂CO₃ / hexane / 1.) 0 deg c, 4 d, 2.) room temperature, 6 h

5: tetrahydrofuran / 1.) -78 deg C, 1 h, 2.) room temperature, 1 h

With manganese(IV) oxide; lithium aluminium tetrahydride; dipyridinium dichromate; 18-crown-6 ether; sodium acetate; potassium hexamethylsilazane; sodium carbonate; In tetrahydrofuran; diethyl ether; hexane; dichloromethane;
DOI:10.1016/S0960-894X(97)00008-5

Reference yield:

: 158648-68-1
(20S)-(4E,8E,12E,16E)-20,21-Epoxy-4,8,13,17,21-pentamethyl-4,8,12,16-docosatetraen-1-al

: 187397-59-7,145919-42-2
(3S)-(6E,10E,14E,18Z)-2,3-Epoxy-2,6,10,15,23-pentamethyl-19-vinyl-6,10,14,18,22-tetracosapentaene

Guidance literature:: Multi-step reaction with 4 steps

1: 96 percent / KN(TMS)2, 18-crown-6 / tetrahydrofuran / 2.5 h / -78 °C

2: LiAlH₄ / diethyl ether / 1 h / 0 °C

3: MnO₂, Na₂CO₃ / hexane / 1.) 0 deg c, 4 d, 2.) room temperature, 6 h

4: tetrahydrofuran / 1.) -78 deg C, 1 h, 2.) room temperature, 1 h

With manganese(IV) oxide; lithium aluminium tetrahydride; 18-crown-6 ether; potassium hexamethylsilazane; sodium carbonate; In tetrahydrofuran; diethyl ether; hexane;
DOI:10.1016/S0960-894X(97)00008-5

Reference yield:

: 158648-71-6
(3S)-(6E,10E,14E,18Z)-2,3-Epoxy-2,6,10,15,23-pentamethyl-19-(hydroxymethyl)-6,10,14,18,22-tetracosapentaene

: 187397-59-7,145919-42-2
(3S)-(6E,10E,14E,18Z)-2,3-Epoxy-2,6,10,15,23-pentamethyl-19-vinyl-6,10,14,18,22-tetracosapentaene

Guidance literature:: Multi-step reaction with 2 steps

1: MnO₂, Na₂CO₃ / hexane / 1.) 0 deg c, 4 d, 2.) room temperature, 6 h

2: tetrahydrofuran / 1.) -78 deg C, 1 h, 2.) room temperature, 1 h

With manganese(IV) oxide; sodium carbonate; In tetrahydrofuran; hexane;
DOI:10.1016/S0960-894X(97)00008-5