2-Methyl-3-phytylbenzoquinone

Base Information

• Chemical Name: 2-Methyl-3-phytylbenzoquinone
• CAS No.: 76448-36-7
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.645
• Mol file: 76448-36-7.mol

Synonyms:2-methyl-3-phytylbenzoquinone;2-methyl-6-phytylbenzoquinone;3-phytyltoluquinone;demethylphytylplastoquinone

Chemical Property of 2-Methyl-3-phytylbenzoquinone

Chemical Property:

• Vapor Pressure: 1.8E-09mmHg at 25°C
• Boiling Point: 482.6°C at 760 mmHg
• Flash Point: 179°C
• PSA: 34.14000
• Density: 0.929g/cm³
• LogP: 7.78640
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 400.334130642
• Heavy Atom Count: 29
• Complexity: 618

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C=CC1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
• Isomeric SMILES: CC1=C(C(=O)C=CC1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C

Technology Process of 2-Methyl-3-phytylbenzoquinone

There total 4 articles about 2-Methyl-3-phytylbenzoquinone 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-methyl-3-phytylquinol (98931-26-1) → 2-Methyl-3-((E)-(7R,11R)-3,7,11,15-tetramethyl-hexadec-2-enyl)-[1,4]benzoquinone (76448-36-7)

Guidance literature:

With silver(l) oxide; In diethyl ether;

DOI:10.1016/S0031-9422(00)81963-9

Reference yield:

(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol (253686-88-3,844467-91-0) → 2-Methyl-3-((E)-(7R,11R)-3,7,11,15-tetramethyl-hexadec-2-enyl)-[1,4]benzoquinone (76448-36-7)

Guidance literature:

Multi-step reaction with 2 steps

1: BF₃-ehterate, Al₂O₃ / tetrahydrofuran / 15 h

2: Ag₂O / diethyl ether

With aluminum oxide; boron trifluoride diethyl etherate; silver(l) oxide; In tetrahydrofuran; diethyl ether;

DOI:10.1016/S0031-9422(00)81963-9

Reference yield:

2-methylbenzene-1,4-diol (95-71-6,96937-50-7) → 2-Methyl-3-((E)-(7R,11R)-3,7,11,15-tetramethyl-hexadec-2-enyl)-[1,4]benzoquinone (76448-36-7)

Guidance literature:

Multi-step reaction with 2 steps

1: BF₃-ehterate, Al₂O₃ / tetrahydrofuran / 15 h

2: Ag₂O / diethyl ether

With aluminum oxide; boron trifluoride diethyl etherate; silver(l) oxide; In tetrahydrofuran; diethyl ether;

DOI:10.1016/S0031-9422(00)81963-9

upstream raw materials:

2-methyl-3-phytylquinol

(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol

2-methylbenzene-1,4-diol

Refernces

• 1、 Soll, Juergen,Shultz, Gernot. "2-METHYL-6-PHYTYLQUINOL AND 2,3-DIMETHYL-5-PHYTYLQUINOL AS PRECURSORS OF TOCOPHEROL SYNTHESIS IN SPINACH CHLOROPLASTS". . p. 215 - 218. Retrieved 2007/10/02.