6958-90-3

Basic information

• Product Name: 1,6-diphenylhexane-3,4-dione
• CAS NO: 6958-90-3
• Molecular Formula: C₁₈H₁₈O₂
• Molecular Weight: 266.3343
• Mol File: 6958-90-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 401.2°C at 760 mmHg
• Flash Point: 169.3°C
• Density: 1.095g/cm³
• Vapor Pressure: 1.21E-06mmHg at 25°C
• Refractive Index: 1.562
• CAS DataBase Reference: 1,6-diphenylhexane-3,4-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1,6-diphenylhexane-3,4-dione(6958-90-3)
• EPA Substance Registry System: 1,6-diphenylhexane-3,4-dione(6958-90-3)

Safety Data

• Hazardous Substances Data: 6958-90-3(Hazardous Substances Data)

Usage

Physical state

Yellow crystalline solid

Solubility

Insoluble in water, soluble in organic solvents

Uses

a. Building block in organic synthesis
b. Intermediate in pharmaceutical and agrochemical production
c. Manufacturing of dyes, perfumes, and other organic compounds

Health hazards

a. Potential carcinogen
b. Irritation to skin, eyes, and respiratory system upon high exposure

Safety precautions

Proper handling and safety measures required in laboratory or industrial settings

Upstream product

• 15962-89-7 1,6-diphenyl-hexane-3,4-diol 
• 23055-11-0 1,6-diphenylhex-3-ene 
• 104-53-0 3-phenyl-propionaldehyde 
• 92854-06-3 4,4'-(buta-1,3-diene-1,1-diyl)bis(chlorobenzene) 
• 39110-26-4 (triphenylphosphonio)-3-phenyl-1-propanide 
• 60-29-7 diethyl ether 
• 2021-28-5 ethyl dihydrocinnamate 
• 79186-29-1 1,6-diphenyl-4-hydroxyhexan-3-one 
• 7484-37-9 (3-phenylpropyl)triphenylphosphonium bromide 

Downstream Products

• 79186-29-1 1,6-diphenyl-4-hydroxyhexan-3-one 
• 501-52-0 3-Phenylpropionic acid 
• 461670-86-0 2-(2-phenylethyl)-2-(3-phenylpropanoyl)-1,3-dioxane 
• 49647-27-0 6,7-diphenethyl-pteridine-2,4-diamine 

Relevant articles and documents

Cooperative N-Heterocyclic Carbene/Nickel-Catalyzed Hydroacylation of 1,3-Dienes with Aldehydes in Water

The cooperative N-heterocyclic carbene/nickel-catalyzed redox-neutral hydroacylation of 1,3-dienes with aldehydes in water was reported. A wide range of aliphatic and aromatic aldehydes were directly coupled with 1,3-dienes, providing synthetically useful β,γ-unsaturated ketones or the corresponding ketones after hydrogenation in moderate to high yields and high atom economy. This protocol first demonstrated the compatibility of NHC catalysis with nickel catalysis. Water was used as the sole solvent, which is rarely reported in a cooperative metal/organic catalytic system.

Ueber die praeparative Nutzung der 1,3-Thiazoliumsalz-katalysierten Acyloin- und Benzoin-Bildung; IV. Herstellung von Acyloinen mit funktionellen Gruppen

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