z2-Tocopherol

Base Information

• Chemical Name: z2-Tocopherol
• CAS No.: 493-35-6
• Molecular Formula: C₂₈H₄₈O₂
• Molecular Weight: 416.688
• Nikkaji Number: J9.387D
• Mol file: 493-35-6.mol

Synonyms:z2-Tocopherol;5,7-Dimethyltocol;493-35-6;2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol;17976-95-3;(??)-5,7-Dimethyltocol;(+/-)-5,7-Dimethyltocol;SCHEMBL1258674;AKOS040754664

Chemical Property of z2-Tocopherol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 517.9°Cat760mmHg
• Flash Point: 205.8°C
• PSA: 29.46000
• Density: 0.933g/cm³
• LogP: 8.53180
• XLogP3: 10.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 416.365430770
• Heavy Atom Count: 30
• Complexity: 475

Purity/Quality:

99%, ^*data from raw suppliers

(±)-5,7-Dimethyltocol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C

Technology Process of z2-Tocopherol

There total 10 articles about z2-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:

2,6-dimethyl-1,4-benzoquinone (527-61-7) → 5,7-dimethyltocol (17976-95-3,493-35-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / sodium hydrosulfite / diethyl ether; H₂O

2: ZnCl₂, silica gel, conc. HCl / CCl₄ / Heating

With hydrogenchloride; sodium disulfite; silica gel; zinc(II) chloride; In tetrachloromethane; diethyl ether; water;

DOI:10.1002/ardp.19963290106

Reference yield:

isophytol (505-32-8) + 1,4-dihydroxy-2,6-dimethylbenzene (654-42-2) → 5,7-dimethyltocol (17976-95-3,493-35-6)

Guidance literature:

With hydrogenchloride; silica gel; zinc(II) chloride; In tetrachloromethane; Heating;

DOI:10.1002/ardp.19963290106

Reference yield:

1,4-dihydroxy-2,6-dimethylbenzene (654-42-2) → (2RS,4'R,8'R)-5,7-Dimethyl-tocol (493-35-6,17976-95-3,78656-19-6,78656-20-9,78656-21-0,78656-22-1,78656-23-2,78656-24-3)

Guidance literature:

With zinc(II) chloride; Petroleum ether;

DOI:10.1002/hlca.193802101153

upstream raw materials:

1,4-dihydroxy-2,6-dimethylbenzene

phytol

formaldehyd

(2RS,4'R,8'R)-7-Methyl-tocol

Downstream raw materials:

6-hydroxy-2,5,7-trimethyl-2-(4,8,12-trimethyltridecanyl)chroman-8-carbaldehyde

<8-(13)CH3>α-tocopherol methyl ester

<8-(13)CH3>2,5,5,7,8-pentamethyl-2-(4,8,12-trimethyltridecyl)chroman-6(5H)-one

6-benzyloxy-2,5,7-trimethyl-2-(4,8,12-trimethyltridecanyl)chroman-8-carboxylic acid

Refernces