1069-23-4 | 1,5-Hexadiene-3,4-diol

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$18.00	$12.00
5g	95%	in stock	$48.00	$34.00
10g	95%	in stock	$90.00	$63.00
25g	95%	in stock	$98.00	$68.00

Description

• Catalog Number: AB54050
• Chemical Name: 1,5-Hexadiene-3,4-diol
• CAS Number: 1069-23-4
• Molecular Formula: C6H10O2
• Molecular Weight: 114.1424
• MDL Number: MFCD00081129
• SMILES: C=CC(C(C=C)O)O
• NSC Number: 60695

Computed Properties

• Complexity: 76.5
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 3
• Undefined Atom Stereocenter Count: 2
• XLogP3: 0.2

Upstream Synthesis Route

1,5-Hexadiene-3,4-diol is a valuable compound used in chemical synthesis as a versatile building block for creating various organic molecules. With its diene functional group, this diol is commonly employed in the synthesis of complex organic compounds through Diels-Alder reactions. This reaction often involves the cycloaddition of the diol with electron-deficient dienophiles, leading to the formation of fused ring structures with high regio- and stereo-selectivity. Additionally, 1,5-Hexadiene-3,4-diol can participate in various other types of reactions, such as oxidation, reduction, and derivatization, providing chemists with a wide range of synthetic pathways to access diverse chemical structures for applications in pharmaceuticals, materials science, and agrochemicals.

Literature

• Desymmetrization of (R,R)-hexa-1,5-diene-3,4-diol via monofunctionalization and rhodium-catalyzed allylic substitution.

  The Journal of organic chemistry 20110401

• Concise total synthesis of (-)-muricatacin by tandem ring-closing/cross metathesis.

  Organic letters 20041111

• Direct preparation of allylic indium(III) reagents from allylic alcohols via a reductive transmetalation of pi-allylnickel(II) with indium(I) iodide.

  The Journal of organic chemistry 20040723