7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate

Basic Information

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CAS Number

38768-08-0

Molecular Formula

C14H12O4S

Molecular Weight

276.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

158.0 to 162.0 deg-C

Boiling Point

473.8°C at 760 mmHg

Density

1.34

Flash Point

240.4±28.7 °C

Refractive Index

1.619

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=CC2=O

InChI

InChI=1S/C14H12O4S/c1-11-7-9-12(10-8-11)19(16,17)18-14-6-4-2-3-5-13(14)15/h2-10H,1H3

InChIKey

AWUMFQREGHLKJB-UHFFFAOYSA-N

LogP

2.1229199999999997

Topological Polar Surface Area

60.440000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

526

Safety Information

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GHS Hazard Pictograms

H341

Hazard Statement

H341 Suspected of causing genetic defects
Germ cell mutagenicity

Synonyms & References

English

(7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate
T1574
7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate #
7-Oxo-1,3,5-cycloheptatrienyl p-toluenesulfonate
2-(Tosyloxy)-2,4,6-cycloheptatrien-1-one
SY036353
7-oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzene-1-sulfonate
SCHEMBL2474943
CS-0135669
AMY7734
7-Oxocyclohepta-1,3,5-trien-1-yl4-methylbenzenesulfonate
DS-17655
2-Tosyloxytropone
Tropolone Tosylate
DTXSID30340249
38768-08-0
7-Oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzenesulfonate
(1E,3Z,5Z)-7-oxocyclohepta-1,3,5-trienyl 4-methylbenzenesulfonate
MFCD00671574
FT-0601842
2-(Tosyloxy)-2,4,6-cycloheptatrien-1-one, >=97.5% (HPLC)
2-Toluenesulfonyloxytropone
A824274
AKOS000661005
FD10483
2,4,6-Cycloheptatrien-1-one,2-[[(4-methylphenyl)sulfonyl]oxy]-

MDL Number

MFCD00671574

Customs Code

2914400090

FAQ

What are the physical and chemical properties of 7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate (CAS: 38768-08-0)?

7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate (CAS: 38768-08-0) is a solid with a crystalline form. Its molecular weight is approximately 319.2 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound is relatively stable but can undergo oxidative reactions under certain conditions. It has a melting point of around 130-132°C.

How is 7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate (CAS: 38768-08-0) typically synthesized?

7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate (CAS: 38768-08-0) is synthesized via a multi-step process involving the reaction of 4-methylbenzenesulfonyl chloride with 7-oxo-1,3,5-cycloheptatriene. The reaction is catalyzed by a suitable base and proceeds with high selectivity. The yield is typically around 75-85%.

What industries use 7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate (CAS: 38768-08-0)?

7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate (CAS: 38768-08-0) is primarily used in the pharmaceutical industry for its potential as a precursor in medicinal chemistry. It can also be applied in the production of sensors and as a chemical intermediate in the synthesis of other compounds. Its use in semiconductors and polymers is less common but still relevant.

What precautions should be taken when handling 7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate (CAS: 38768-08-0)?

When handling 7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate (CAS: 38768-08-0), it is important to wear personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate methods, and the material safety data sheet (MSDS) should be consulted for specific handling and disposal instructions.