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Home > Encyclopedia > 1,3-DIISOPROPYLCYCLOHEXANE

1,3-DIISOPROPYLCYCLOHEXANE

1,3-DIISOPROPYLCYCLOHEXANE structure

1,3-DIISOPROPYLCYCLOHEXANE 

structure
  • CAS No:

    7045-70-7

  • Formula:

    C12H24

  • Chemical Name:

    1,3-DIISOPROPYLCYCLOHEXANE

  • Synonyms:

    1,3-DIISOPROPYLCYCLOHEXANE;cis,trans-1,3-Diisopropylcyclohexane;1,3-Diisopropylcyclohexane, cis + trans, 98%;1,3-Diisopropylcyclohexane, cis + trans, 97+%;1,3-diisopropylcyclohexane(mixture of cis-and trans-)

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

1,3-DIISOPROPYLCYCLOHEXANE Basic Attributes

168.32

168.18800

DTXSID40334937

Characteristics

0

4.10480

0.798g/cm3

205-207°C

205-207°C

1.438

Safety Information

II

3

11-36/37/38

16-26-36/37/39

Xi

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

1,3-DIISOPROPYLCYCLOHEXANE Use and Manufacturing

1, 3-Diisopropylcyclohexane is used as a flame retardant in scientific applications. 1, 2-dibromo-4 -(1, 2-dibromoethyl) cyclohexane (TBECH) is closely related to 1, 3-diisopropylcyclohexane and is mainly used as an additive flame retardant. It consists of diastereoisomers, such as α-TBECH and β-TBECH. The compound has been found in blubber extracts from beluga whales in the Canadian Arctic, indicating its persistence in the environment. 1, 3-Diisopropylcyclohexane is used in scientific research applications for conformational analysis in chemical synthesis. 1, 3-dioxane (including 1, 3-diisopropylcyclohexane) is a six-membered heterocyclic analogues of cyclohexane whose structural studies are critical because of their valuable pharmacological properties and their applications in fine organic synthesis. Computer simulations play a crucial role in understanding its conformational isomerization, which is essential in chemical synthesis. 1, 3-Diisopropylcyclohexane is used in research applications as a catalyst in enantioselective synthesis. 1, 3-diisopropylcyclohexane derivatives, such as 2, 5-diisopropylcyclohexane-1, 4-bis (indenyl) titanium dichloride, have been used as catalysts for enantioselective synthesis, particularly in pinacol coupling reactions of benzaldehyde. Such catalysts are essential for the production of chiral compounds, which have a wide range of applications in drug synthesis and other medicinal chemistry fields. 1, 3-Diisopropylcyclohexane is used as a polymerization initiator in scientific applications. 1, 3-diisopropylcyclohexane is related to 1, 3-diisopropylcyclohexane and can be used as a bifunctional initiator in anionic polymerization. This application is of great significance in the field of polymer chemistry, as controlled polymerization is essential for creating specific polymer structures. Optical and dielectric material applications of 1, 3-Diisopropylcyclohexane. 1, 3-dioxopentane derivatives are closely related to 1, 3-diisopropylcyclohexane and have been used to enhance the dielectric properties and optical anisotropy of liquid crystals. This is particularly important for applications in display technology and optical devices. Application of 1, 3-diisopropylcyclohexane in asymmetric synthesis of medicinal chemistry. In medicinal chemistry, the asymmetric 1, 3-dipole cycloaddition reaction between nitrile oxide and non-chiral allyl alcohol using DIISOPROPYLCYCLOHEXANE as a chiral additive has been demonstrated. This method can generate compounds that are highly enantioselective, which is critical for drug development. Conformational studies of 1, 3-Diisopropylcyclohexane in organic chemistry. The substance and its derivatives have been the subject of extensive conformational studies that are critical to understanding the physical and chemical properties of organic compounds. These studies are of great significance for the development of synthetic strategies and the prediction of molecular behavior.

Computed Properties

Molecular Weight:168.32
XLogP3:5.3
Rotatable Bond Count:2
Exact Mass:168.187800766
Monoisotopic Mass:168.187800766
Heavy Atom Count:12
Complexity:110
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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