3-((1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde, (E)- | CAS No. 109466-74-2

3-((1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde, (E)-

Basic Information

CAS Number

109466-74-2

Molecular Formula

C11H18O3

Molecular Weight

198.26 g/mol

AD

Basic Physical Properties

CC(=CC1CCC(C(C1)OC)O)C=O

InChI

InChI=1S/C11H18O3/c1-8(7-12)5-9-3-4-10(13)11(6-9)14-2/h5,7,9-11,13H,3-4,6H2,1-2H3/b8-5+/t9-,10+,11+/m0/s1

InChIKey

ZTXGCGOIEHBZMQ-OJHBQYHASA-N

LogP

1.3076

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

223

Synonyms & References

English

  • Tacrolimus Methyl Acryl Aldehyde
  • (E)-3-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-methylprop-2-enal
  • Tacrolimus Methyl Ac
  • Methyl Acryl Aldehyde
  • (E)-3-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde
  • D3TG17VNO3
  • 3-((1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde, (E)-
  • 109466-74-2
  • [1R-[1alpha(E),3alpha,4beta]]-3-(4-Hydroxy-3-methoxycyclohexyl)-2-methyl-2-propenal
  • Q27276055
  • UNII-D3TG17VNO3
  • 2-Propenal, 3-(4-hydroxy-3-methoxycyclohexyl)-2-methyl-, [1R-[1a(E),3a,4ss]]- (9CI)
  • (2E)-3-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-methylprop-2-enal

FAQ

What are the physical and chemical properties of 3-((1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde, (E)- (CAS: 109466-74-2)?

The compound 3-((1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde, (E)- is a colorless or white crystalline solid. Its molecular weight is approximately 238.32 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. It is reactive due to the presence of an aldehyde group and a double bond, making it suitable for various chemical reactions and applications.

How is 3-((1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde, (E)- (CAS: 109466-74-2) typically synthesized?

This compound can be synthesized through a multistep process involving the preparation of a methoxycyclohexanol, followed by hydroxylation, ring opening, and alkylation steps. Commonly used catalysts include transition metals like palladium. The overall process yields a high purity product with good selectivity. Typical yields range from 60-80%.

What industries use 3-((1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde, (E)- (CAS: 109466-74-2)?

This compound is primarily used in pharmaceuticals for the synthesis of active pharmaceutical ingredients (APIs) due to its structural complexity and reactivity. It also finds applications in polymers for modifying properties, sensors for detecting specific compounds, and semiconductors for electronic devices. Its unique chemical structure makes it valuable in these industries.

What precautions should be taken when handling 3-((1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde, (E)- (CAS: 109466-74-2)?

When handling this compound, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn to protect against skin contact and inhalation. Working in a well-ventilated area or fume hood is essential to avoid exposure. In case of spill, neutralize with an appropriate substance and clean up using personal protective equipment. Always consult the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.

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