4636-39-9

Basic information

• Product Name: 4-hydroxycyclohepta-2,4,6-trien-1-one
• CAS NO: 4636-39-9
• Molecular Formula: C₇H₆O₂
• Molecular Weight: 122.1213
• Mol File: 4636-39-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 247.4°C at 760 mmHg
• Flash Point: 101.7°C
• Density: 1.278g/cm³
• Vapor Pressure: 0.00419mmHg at 25°C
• Refractive Index: 1.602
• CAS DataBase Reference: 4-hydroxycyclohepta-2,4,6-trien-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-hydroxycyclohepta-2,4,6-trien-1-one(4636-39-9)
• EPA Substance Registry System: 4-hydroxycyclohepta-2,4,6-trien-1-one(4636-39-9)

Safety Data

• Hazardous Substances Data: 4636-39-9(Hazardous Substances Data)

Upstream product

• 7157-27-9 2,5-dichlorotropone 
• 27721-80-8 3-chloro-pentanedioyl dichloride 
• 27571-06-8 3-chloro glutaric acid 
• 1724-02-3 glutaconic acid 
• 152539-97-4 2,5-bis(p-tosylsulfonyloxy)tropone 
• 64615-23-2 4-(p-tolylsulfonyloxy)tropolone 
• 15852-34-3 2,5-dihydroxycyclohepta-2,4,6-trien-1-one 
• 90953-66-5 5-methoxycyclohepta-2,4-dien-1-one 
• 7009-16-7 2-chloro-5-hydroxy-cycloheptatrienone 
• 90612-15-0 2,5-Dimethoxy-1,4-dihydro-benzylalkohol 
• 152539-98-5 4-acetoxytropone 
• 1728-32-1 1-methoxycyclohepta-1,3,5-triene 
• 27571-08-0 6-Chlor-cyclohept-2-en-1,4-dion 
• 27571-07-9 4-chloro-1,7-bis-diazo-heptane-2,6-dione 

Downstream Products

• 141672-28-8 4-Dodecyloxy-benzoic acid 4-hexyloxy-7-oxo-cyclohepta-1,3,5-trienyl ester 
• 6621-70-1 methyl ether of γ-tropolone 

Relevant articles and documents

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A Photoinduced Two Carbon Ring Expansion leading to an Easy Synthesis of γ-Tropolone

Irradiation of 3-methoxycyclopent-2-en-1-one (1) and an excess of acetylene in MeCN at O deg C with Pyrex-filtered light from a Hg-lamp gives 5-methoxycyclohepta-2,4-dien-1-one (2), which undergoes SeO2 oxidation to 4-methoxytropone (3), a known source of γ-tropolone (4); using dideuterioacetylene in place of acetylene, a 3:2 mixture of the isomeric 2,3- and 3,4-dideuterio analogues of (2) is obtained, suggesting a limitation of this method for substituted γ-tropolones.

The Sensitized Photooxidation of Methoxycycloheptatrienes. The Synthesis of α-, β-, and γ-Tropolones

The sensitized photooxidation of 7-methoxycycloheptatriene (7-methoxytropilidene) afforded cycloadduct (2), tropone, benzaldehyde and their 2-methoxy derivatives.Thermal isomerization of 2 followed by the treatment with alumina yielded 4-methoxytropone.The photooxidation of 1-methoxytropilidene gave 4-hydroxytropone and o-methoxybenzaldehyde, and the photooxidation of 3-methoxytropilidene followed by the treatment with triethylamine afforded 3-methoxytropone, tropone, and o-methoxybenzaldehyde.Characterization of the products and the mechanisms of the reactions are discussed.