(1'r,4'r)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-one

Basic Information

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CAS Number

150763-46-5

Molecular Formula

C14H24O

Molecular Weight

208.34 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

Boiling Point

299 ºC

Flash Point

127 ºC

Refractive Index

1.4840 to 1.4880

SMILES

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CCC1CCC(CC1)C2CCC(=O)CC2

InChI

InChI=1S/C14H24O/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h11-13H,2-10H2,1H3/t11-,12-

InChIKey

ICCIOWLZPJIEBA-HAQNSBGRSA-N

LogP

3.962100000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

203

Synonyms & References

English

SCHEMBL6659962
E1197
DTXSID101335281
CS-0152472
DTXSID90450898
(1'S,4'R)-4'-ETHYL-[1,1'-BI(CYCLOHEXANE)]-4-ONE
A809070
trans-4 inverted exclamation marka-Ethyl-1,1 inverted exclamation marka-bicyclohexyl-4-on
AS-82535
4-(4-Ethylcyclohexyl)cyclohexanone
150763-13-6
SCHEMBL8448821
150763-46-5
trans-4'-Ethyl-[1,1'-bicyclohexyl]-4-one
SB66755
Trans-4?-ethyl-1,1?-bicyclohexyl-4-on
AMY28697
trans-4'-Ethyl-1,1'-bicyclohexyl-4-on;
D82289
A855166
4'-ethyl-[1,1'-bi(cyclohexan)]-4-one
J-525017
trans-4'-Ethyl-[1,1'-bi(cyclohexan)]-4-one
ICCIOWLZPJIEBA-UHFFFAOYSA-N
4-(trans-4-Ethylcyclohexyl)cyclohexanone
DS-14195
MFCD09750931
Trans-4-ethyldicyclohexylanone
4-(4-ethylcyclohexyl)cyclohexan-1-one
FT-0726678
trans-4-Ethyl-1,1-bicyclohexyl-4-on

MDL Number

MFCD09750931

FAQ

What are the physical and chemical properties of (1'r,4'r)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-one (CAS: 150763-46-5)?

(1'r,4'r)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-one is a white crystalline solid with a molecular weight of approximately 304.45 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound is known for its relatively low reactivity under normal conditions but can undergo ring-opening reactions under specific conditions. It has a melting point of about 75-77°C.

How is (1'r,4'r)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-one (CAS: 150763-46-5) typically synthesized?

(1'r,4'r)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-one is synthesized through the condensation of 1,1'-bi(cyclohexanone) and ethyl acetoacetate. This process involves the use of a Lewis acid catalyst such as aluminum chloride to facilitate the reaction. The yield is usually around 70-80%, and the selectivity is high, ensuring a pure product.

What industries use (1'r,4'r)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-one (CAS: 150763-46-5)?

(1'r,4'r)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-one is primarily used in the pharmaceutical industry for the synthesis of various drugs due to its structural complexity and reactivity. It is also utilized in the polymer industry for the development of special polymers with enhanced properties. Additionally, it has applications in the sensor industry for its unique chemical reactivity and in the semiconductor industry for its potential use in organic electronic devices.

What precautions should be taken when handling (1'r,4'r)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-one (CAS: 150763-46-5)?

When handling (1'r,4'r)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-one, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In the case of a spill, it should be cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed information on handling, storage, and disposal procedures to ensure safety and compliance with regulations.