(3Z)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one | CAS No. 38102-62-4

(3Z)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one

Basic Information

CAS Number

38102-62-4

Molecular Formula

C18H22O

Molecular Weight

254.37 g/mol

AD

Basic Physical Properties

CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)C

InChI

InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11-

InChIKey

HEOCBCNFKCOKBX-KAMYIIQDSA-N

LogP

4.403620000000004

Topological Polar Surface Area

17.07 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

423

Synonyms & References

English

  • (e)-rac-1,7,7-trimethyl-3-(4-methyl-benzylidene)-bicyclo-[2.2.1]-heptan-2-one
  • Q4637174
  • METHYL BENZYLIDENE CAMPHOR
  • 3-(4-Methylbenzylidene)camphor
  • (+/-)-3-(p-methylbenzylidene)camphor
  • 4-Methylbenzylidene camphor
  • (3E)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
  • 3-(4'-Methylbenzylidene)camphor
  • CHEBI:135937
  • AC-8477
  • 3-(p-Methylbenzylidene)-DL-camphor
  • 36861-47-9
  • EN300-22079225
  • DTXSID201348972
  • 4-MBC
  • (E)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one
  • DB11219
  • 38102-62-4
  • BDBM50103609
  • HEOCBCNFKCOKBX-SDNWHVSQSA-N
  • AKOS015865884
  • 3-(4-METHYLBENZYLIDENE)-CAMPHOR
  • CHEMBL2104261
  • Parsol 5000
  • NCGC00167419-02
  • LS-14659
  • 4-Methylbenzylidenecamphor
  • Enzacamene D-L form
  • (E)-Enzacamene
  • AKOS025310897
  • SCHEMBL83245

FAQ

What are the physical and chemical properties of (3Z)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one (CAS: 38102-62-4)?

(3Z)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one is a white crystalline solid with a high melting point and low solubility in water. It has a molecular weight of approximately 284.38 g/mol. The compound exhibits moderate reactivity with basic and reducing agents. It is used in various applications requiring its specific chemical structure and properties.

How is (3Z)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one (CAS: 38102-62-4) typically synthesized?

(3Z)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one is typically synthesized via a Wittig reaction, where a methyl vinyl ketone reacts with a 4-methylbenzyl halide in the presence of a phosphorus ylide. The reaction is carried out under an inert atmosphere to avoid decomposition and yields a mixture that can be purified by recrystallization or chromatography.

What industries use (3Z)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one (CAS: 38102-62-4)?

(3Z)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one is used in the pharmaceutical industry for its structural properties and in the sensor industry for its ability to detect specific compounds. It is also utilized in the production of certain polymers and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling (3Z)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one (CAS: 38102-62-4)?

When handling (3Z)-1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and lab coat. Work should be conducted in a well-ventilated area or fume hood due to its potential volatility. In case of spill, it should be cleaned up using absorbent materials, and the area should be flushed with water. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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