2-Methyl-2-phytyl-6-chromanol

Base Information

• Chemical Name: 2-Methyl-2-phytyl-6-chromanol
• CAS No.: 119-98-2
• Molecular Formula: C26H44 O2
• Molecular Weight: 388.634
• Hs Code.: 2932999099
• UNII: S2XEE7OB8X
• DSSTox Substance ID: DTXSID10871602
• Wikidata: Q27288500
• Mol file: 119-98-2.mol

Synonyms:2-methyl-2-(4,8,12-trimethyltridecyl)-6-chromanol;tocol

Chemical Property of 2-Methyl-2-phytyl-6-chromanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 494°Cat760mmHg
• Flash Point: 196.7°C
• PSA: 29.46000
• Density: 0.938g/cm³
• LogP: 7.91500
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 388.334130642
• Heavy Atom Count: 28
• Complexity: 421

Purity/Quality:

98%,99%, ^*data from raw suppliers

(±)-Tocol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)O)C
• Description: (±)-Tocol is a synthetic vitamin E derivative. Unlike (±)-α-tocopherol , (±)-tocol does not suppress retinol-induced erythrocyte hemolysis or increase microviscosity of rat liver phosphatidylcholine (PC) liposomes. [Matreya, LLC. Catalog No. 1797]

Technology Process of 2-Methyl-2-phytyl-6-chromanol

There total 9 articles about 2-Methyl-2-phytyl-6-chromanol 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: 70.0%

(3RS,7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol (395645-30-4) + hydroquinone (123-31-9,8027-02-9) → (2RS,4'R,8'R)-Tocol (119-98-2,58166-19-1,131321-19-2)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether;

DOI:10.1016/S0957-4166(00)82239-9

Reference yield: 65.0%

isophytol (505-32-8) + hydroquinone (123-31-9,8027-02-9) → 2-Methyl-2-(4,8,12-trimethyltridecyl)-6-chromanol (119-98-2)

Guidance literature:

With [1,3]-dioxolan-2-one; toluene-4-sulfonic acid; In n-heptane; for 1.33333h; Inert atmosphere; Reflux;

Reference yield: 48.0%

→ 2-Methyl-2-(4,8,12-trimethyltridecyl)-6-chromanol (119-98-2)

Guidance literature:

upstream raw materials:

4-Benzyloxyphenol

phytol

4-methoxy-phenol

hydroquinone

Downstream raw materials:

2,6-di(t-butyl)-4-phenylphenol

tocol radical

Refernces

• 1、 Tachibana, Yoji. "A New Catalytic System for the Preparation of Chromanols". . p. 555 - 556. Retrieved 1980.
• 2、 -. "NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS WITH EXTENDED LIPOPHILIC SIDE CHAINS". Page/Page column 34-35. . Retrieved 2019/10/23.
• 3、 -. "Isoprenoid derivatives and anti-ulcer agents containing the same". . . Retrieved 2008/06/13.