zeta1-Tocopherol

Base Information

• Chemical Name: zeta1-Tocopherol
• CAS No.: 90242-77-6
• Molecular Formula: C₂₉H₄₄O₂
• Molecular Weight: 424.667
• UNII: 42UVL44LY7
• DSSTox Substance ID: DTXSID801110313
• Nikkaji Number: J1.325.712D,J152.078D
• Wikidata: Q27258577
• ChEMBL ID: CHEMBL121500
• Mol file: 90242-77-6.mol

Synonyms:dl-alpha-Tocotrienol;5,7,8-Trimethyltocotrienol;Tocotrienol, alpha;1721-51-3;42UVL44LY7;D- alpha -Tocotrienol;.XI.1-TOCOPHEROL;.ZETA.1-TOKOFEROL;.ZETA.1-TOCOPHEROL;trans-trans-alpha-Tocotrienol;SCHEMBL242671;DL-.ALPHA.-TOCOTRIENOL;CHEMBL121500;.ALPHA.-TOCOTRIENOL, DL-;DTXSID801110313;.ALPHA.-TOCOTRIENOL DL-FORM [MI];Q27258577;6-CHROMANOL, 2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYL-3,7,11-TRIDECATRIENYL)-;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol;3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYL-3,7,11-TRIDECATRIEN-1-YL)-2H-1-BENZOPYRAN-6-OL;3,4-Dihydro-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2H-1-benzopyran-6-ol;90242-77-6

Chemical Property of zeta1-Tocopherol

Chemical Property:

• XLogP3: 9.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 424.334130642
• Heavy Atom Count: 31
• Complexity: 654

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C2=C(CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C1O)C)C
• Isomeric SMILES: CC1=C(C2=C(CCC(O2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=C1O)C)C

Technology Process of zeta1-Tocopherol

There total 53 articles about zeta1-Tocopherol 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: 100.0%

(R)-6-(benzyloxy)-2,5,7,8-tetramethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chromane (906079-31-0) → alpha-tocotrienol (1721-51-3,47686-42-0,90242-77-6,104639-76-1,58864-81-6,24960-03-0)

Guidance literature:

With lithium; In diethyl ether; at 20 ℃; for 3h; Inert atmosphere;

Reference yield: 66.0%

tert-butyldimethyl (((R)-2,5,7,8-tetramethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chroman-6-yl)oxy)silane (1174643-53-8) → alpha-tocotrienol (1721-51-3,47686-42-0,90242-77-6,104639-76-1,58864-81-6,24960-03-0)

Guidance literature:

With tetrabutyl ammonium fluoride; water; In tetrahydrofuran; at 25 ℃; for 1h;

Reference yield:

α tocotrienol (90242-77-6,24960-03-0) → alpha-tocotrienol (1721-51-3,47686-42-0,90242-77-6,104639-76-1,58864-81-6,24960-03-0) + (S)-2,5,7,8-tetramethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chroman-6-ol (24960-03-0)

Guidance literature:

With carbon dioxide; In methanol; n-heptane; at 40 ℃; under 67506.8 Torr; Supercritical conditions;

upstream raw materials:

1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-

2,3,5-Trimethyl-1,4-benzoquinone

3,4-dihydro-6-<(2-methoxyethoxy)methoxy>-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltrideca-3(E),7(E),11-trienyl)-2H-1-benzopyran

α-tocotrienol methoxymethyl ether

Downstream raw materials:

vitamin E

alpha-tocotrienol

(S)-2,5,7,8-tetramethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chroman-6-ol

(R)-6-(3,5-dimethoxybenzyl)oxy-2,5,7,8-tetramethyl-2-((3'E,7'E)-4',8',12'-trimethyltrideca-3',7',11'-trienyl)chroman