6685-67-2

Basic information

• Product Name: 2,6-bis(1-methylethyl)phenyl cyanate
• CAS NO: 6685-67-2
• Molecular Formula: C₂₅H₂₂O₁₂
• Molecular Weight: 203.2802
• Mol File: 6685-67-2.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 265.4°C at 760 mmHg
• Flash Point: 96°C
• Density: 0.982g/cm³
• Vapor Pressure: 0.00916mmHg at 25°C
• Refractive Index: 1.503
• CAS DataBase Reference: 2,6-bis(1-methylethyl)phenyl cyanate(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-bis(1-methylethyl)phenyl cyanate(6685-67-2)
• EPA Substance Registry System: 2,6-bis(1-methylethyl)phenyl cyanate(6685-67-2)

Safety Data

• Hazardous Substances Data: 6685-67-2(Hazardous Substances Data)

Upstream product

• 108-24-7 acetic anhydride 
• 480-18-2 taxifolin 
• 480-18-2 (+/-)-taxifolin 
• 17654-26-1 dihydroquercetin 
• 3162-26-3 (2R,3R)-3,7-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one 
• 64191-31-7 trans-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3-acetoxy-5,7-dihydroxy-4H-1-benzopyran-4-one 

Downstream Products

• 64191-31-7 trans-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3-acetoxy-5,7-dihydroxy-4H-1-benzopyran-4-one 
• 132400-78-3 (+/-)-2,3-trans-3,4-cis-4-methoxy-3,5,7,3',4'-pentaacetoxyflavan 
• 132400-75-0 (+/-)-catechin 5-methyl ether tetraacetate 
• 16198-01-9 (+/-)-pentaacetylcatechin 
• 65052-92-8 (+/-)-2,3-trans-3,4-trans-4-hydroxy-3,5,7,3',4'-pentaacetoxyflavan 
• 132400-73-8 (+/-)-catechin 3,7,3',4'-tetraacetate 
• 15885-46-8 (+/-)-2,3-cis-3,4-cis-3,4,5,7,3',4'-hexaacetoxyflavan 
• 16198-01-9 (+/-)-epicatechol pentaacetate 

Relevant articles and documents

TAXIFOLIN DERIVATIVE WITH SUPERIOR ANTIOXIDANT EFFECT AND COSMETIC COMPOSITION CONTAINING THE SAME

Disclosed are taxifolin derivative with superior antioxidant effect, a method of synthesizing the same and a cosmetic composition containing the same. In accordance with the method, taxifolin derivatives having higher antioxidant activity than taxifolin can be synthesized using lipoic acid. As such, a novel taxifolin derivative synthesized according to the present invention can exhibit anti-aging effects when used for cosmetics and the like.

Epimerization, transacylation and bromination of dihydroquercetin acetates; Synthesis of 8-bromodihydroquercetin

Dihydroquercetin (dhq) and its 3-acetate react with acetic anhydride in the absence of a base catalyst to yield mixtures of partially acetylated products. Three new esters were characterized by NMR spectroscopy as dhq 3,7,3'-triacetate, 3,7,4'-triacetate and 5,7,3',4'- tetraacetate. At its melting point neat dhq 3,7,3',4'-tetraacetate is partially converted to dhq 3,3',4'-triacetate and dhq pentaacetate by intermolecular acetyl transfer. Dhq 7,3',4'-triacetate yields exclusively dhq 3',4'-di- and 3,7,3',4'-tetraacetate under these conditions. The acetylation/deacetylation reactions are accompanied by partial epimerization: 3 new acetates with 2,3-cis stereochemistry (dhq 3-, 3,7,3',4'-tetra- and penta-) were identified. Dhq and its 3,7,3',4'-tetraacetate undergo regiospecific dibromination at C-6 and C-8 with excess N-bromosuccinimide in polar solvents, and 6,8-dibromo-dhq can be regioselectively debrominated to 8-bromo-dhq with sodium sulfite. Versita Sp. z o.o.

Crystal structures of dihydroquercetin 3-acetate and dihydroquercetin 3,3',4',7-tetraacetate: Hydrogen bonding in 5-hydroxyflavanones

The molecular structures of dihydroquercetin 3-acetate 3 and dihydroquercetin 3,3'.4',7-tetraacetate 4 were determined by single crystal X-ray analysis. Comparison of their crystal data with those, of 16 known 5-hydroxyflavanones shows intramolecular O(5)