(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-one

Basic Information

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CAS Number

84868-02-0

Molecular Formula

C17H30O

Molecular Weight

250.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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O=C1CCC([C@H]2CC[C@H](CCCCC)CC2)CC1

InChI

InChI=1S/C17H30O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-16H,2-13H2,1H3/t14-,15-

InChIKey

OZLFNAZSDVXEFU-SHTZXODSSA-N

LogP

5.132400000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

240

Synonyms & References

English

4-(trans-4-Pentylcyclohexyl)cyclohexanone
4-(trans-4'-Pentylcyclohexyl)cyclohexanone
4-(trans-4'-n-Pentylcyclohexyl)cyclohexanone
4-Pentyldicyclohexylanone
TRANS-4-(TRANS-4-PENTYLCYCLOHEXYL)CYCLOHEXANONE
trans-4-Pentylbi(cyclohexan)-4-one
trans-4'-Pentylbi(cyclohexan)-4-one
4'-Pentyl-[1,1'-bi(cyclohexan)]-4-one
4-(4-pentylcyclohexyl)cyclohexan-1-one
4'-Pentylbi(cyclohexyl)-4-one
4-(4-pentylcyclohexyl)cyclohexanone
PubChem9649
PubChem2511
4'-pentyl-[1,1'-Bicyclohexyl]-4-one
KSC914G4D
OZLFNAZSDVXEFU-SHTZXODSSA-N
OZLFNAZSDVXEFU-UHFFFAOYSA-N

MDL Number

MFCD04038798

Customs Code

2914299000

FAQ

What are the physical and chemical properties of (1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-one (CAS: 84868-02-0)?

(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-one is a solid with a crystalline form. The molecular weight is approximately 288.41 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong acids or bases. It has a moderate reactivity with nucleophiles.

How is (1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-one (CAS: 84868-02-0) typically synthesized?

(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-one is typically synthesized via a multi-step process involving the condensation of 1,1'-bi(cyclohexene) with pivaloyl chloride. This reaction is catalyzed by a Lewis acid such as aluminum chloride. The yield is around 70-80%, and the process requires careful control of temperature and reaction time to ensure high selectivity.

What industries use (1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-one (CAS: 84868-02-0)?

(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-one is used in the pharmaceutical industry for synthesizing certain drugs. It also finds applications in the polymer industry, where it can be used as a monomer or additive. Additionally, it is used in the production of sensors and semiconductors due to its unique physical and chemical properties.

What precautions should be taken when handling (1's,4'r)-4'-1,1'-bi(cyclohexyl)-4-one (CAS: 84868-02-0)?

When handling (1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-one, safety goggles and gloves should be worn to protect against skin contact. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be handled according to the Material Safety Data Sheet (MSDS). Always work in a well-ventilated area or a fume hood to minimize exposure to airborne particles. If inhalation occurs, seek medical attention immediately.