14101-61-2

Basic information

• Product Name: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-tr imethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI)
• Synonyms: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-tr imethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI);D-G-TOCOTRIENOL;(R-(all-E))-3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl)-2H-1-benzopyran-6-ol;(2R)-2β,7,8-Trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-3,4-dihydro-2H-1-benzopyran-6-ol;(R)-3,4-Dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol;(R-(E,E))-3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol;(R)-gamma-Tocotrienol;2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-
• CAS NO: 14101-61-2
• Molecular Formula: C₂₈H₄₂O₂
• Molecular Weight: 410.63
• Mol File: 14101-61-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 530.8°Cat760mmHg
• Flash Point: 218.4°C
• Appearance: /
• Density: 0.964g/cm³
• Vapor Pressure: 6.98E-12mmHg at 25°C
• Refractive Index: 1.523
• Storage Temp.: −20°C
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• PKA: 11.05±0.40(Predicted)
• Stability: Light Sensitive
• CAS DataBase Reference: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-tr imethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-tr imethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI)(14101-61-2)
• EPA Substance Registry System: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-tr imethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI)(14101-61-2)

Safety Data

• WGK Germany: 2
• Hazardous Substances Data: 14101-61-2(Hazardous Substances Data)

Usage

Description

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)(9CI) is a complex organic compound with a molecular structure that includes a benzopyran-6-ol core, a 3,4-dihydro ring, and multiple methyl and tridecatrienyl groups. 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-tr imethyl-3,7,11-tridecatrienyl]-, (2R)(9CI) is characterized by its unique arrangement of atoms and functional groups, which may contribute to its potential applications in various fields.

Uses

There is no specific information provided about the uses of 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)(9CI) in the given materials. However, based on its chemical structure, it may have potential applications in fields such as pharmaceuticals, agrochemicals, or materials science, depending on its properties and reactivity.
For example, if it were found to have biological activity, it could be used as a lead compound in the development of new drugs. If it demonstrated unique physical properties, it could be utilized in the creation of new materials or coatings. Further research and experimentation would be necessary to determine the specific applications and potential benefits of this compound.

InChI:InChI=1/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1

Upstream product

• 951404-43-6 2'-phenylsulfonyl-γ-tocotrienyl benzyl ether 
• 951404-30-1 methyl 2,7,8-trimethyl-6-benzoyloxychroman-2-carboxylate 
• 951404-32-3 2,7,8-trimethyl-6-hydroxychroman-2-methanol 
• 951404-36-7 C₁₇H₂₂O₆ 
• 951404-38-9 (S)-2-hydroxymethyl-2,7,8-trimethylchroman-6-ol 
• 951404-34-5 2,7,8-trimethyl-6-benzyloxychroman-2-methanol 
• 951404-40-3 2,7,8-trimethyl-6-benzyloxychroman-2-methanol triflate 
• 35543-23-8 2,3-dimethylhydroquinone monobenzoate 
• 951404-29-8 2,3-dimethylhydroquinone dibenzoate 
• 608-43-5 2,3-dimethyl-1,4-dihydroxybenzene 
• 16772-32-0 (rac)-γ-tocotrienol 

Downstream Products

• 1422421-76-8 (R)-5,6,8-trimethyl-2-(3-nitrobenzyl)-8-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-1,2,3,8,9,10-hexahydrochromeno[5,6-e][1,3]oxazine 
• 1422421-74-6 4-(2-((R)-5,6,8-trimethyl-8-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-9,10-dihydrochromeno[5,6-e][1,3]oxazin-2(1H,3H,8H)-yl)ethyl)phenol 
• 1422421-71-3 (R)-2-(3,4-dimethoxyphenethyl)-5,6,8-trimethyl-8-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-1,2,3,8,9,10-hexahydrochromeno[5,6-e][1,3]oxazine 
• 1422421-65-5 5-((R)-5,6,8-trimethyl-8-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-9,10-dihydrochromeno[5,6-e][1,3]oxazin-2(1H,3H,8H)-yl)pentan-1-ol 
• 1422421-55-3 (R)-2-(1-benzylpiperidin-4-yl)-5,6,8-trimethyl-8-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-1,2,3,8,9,10-hexahydrochromeno[5,6-e][1,3]oxazine 
• 1422421-54-2 (R)-2-benzyl-5,6,8-trimethyl-8-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-1,2,3,8,9,10-hexahydrochromeno[5,6-e][1,3]oxazine 
• 1258410-55-7 2-(((R)-2,7,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)chroman-6-yloxy)carbonyl)terephthalic acid 
• 1258410-51-3 4-(((R)-2,7,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)chroman-6-yloxy)carbonyl)isophthalic acid 
• 1258410-71-7 4-((E)-3-oxo-3-((R)-2,7,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)chroman-6-yloxy)prop-1-enyl)-1,2-phenylene diacetate 
• 1258410-69-3 5-(((R)-2,7,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)chroman-6-yloxy)carbonyl)benzene-1,2,3-triyl triacetate 
• 1253279-72-9 (R)-2,7,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)chroman-6-yl benzoylcarbamate 
• 1208120-96-0 phenyl (R)-2,7,8-trimethyl-2-((3'E,7'E)-4',8',12'-trimethyltrideca-3',7',11'-trienyl)chroman-6-yl iminodicarbonate 
• 1208120-81-3 (R)-2,7,8-trimethyl-2-((3'E,7'E)-4',8',12'-trimethyltrideca-3',7',11'-trienyl)chroman-6-yl phenylsulfonylcarbamate 
• 1208121-06-5 (R)-6-((3-methoxybenzyl)oxy)-2,7,8-trimethyl-2-((3'E,7'E)-4',8',12'-trimethyltrideca-3',7',11'-trienyl)chroman 

Relevant articles and documents

SEPARATION OF CHIRAL ISOMERS BY SFC

The present invention relates to the field of separating chiral isomers from each other. Particularly, it relates to the field of separating of chiral isomers of chromane or chromene compounds, particularly tocopherols, 3,4-dehydro-tocopherols and tocotrienols, as well as the protected forms thereof. It has been found that the use of supercritical carbon dioxide as mobile phase combined with the very specific chiral phase as stationary phase leads to a very efficient separation of the individual chiral isomers. As the method is very efficient and fast combined with advantageous in view of ecology it is of big industrial interest.

The substrate specificity of tocopherol cyclase

The substrate specificity of the enzyme tocopherol cyclase from the blue-green algae Anabaena variabilis (Cyanobacteria) was investigated with 11 substrate analogues revealing the significance of three major recognition sites: (i) the OH group at C(1) of the hydroquinone, (ii) the (E) configuration of the double bond, and (iii) the length of the lipophilic side chain. Experiments with two affinity matrices suggest that substrates approach the enzyme's active site with the hydrophobic tail.