Cas no 97398-80-6 (trans,trans-4-Propyl-4-methoxy-bicyclohexyl)

trans,trans-4-Propyl-4-methoxy-bicyclohexyl is a bicyclic organic compound characterized by its rigid molecular structure and functionalized propyl and methoxy substituents. The trans,trans configuration ensures high stereochemical purity, making it suitable for applications requiring precise molecular geometry. Its bicyclohexyl core provides thermal and chemical stability, while the methoxy group enhances solubility in polar organic solvents. This compound is particularly valuable in liquid crystal research, where its mesomorphic properties can be fine-tuned for advanced display technologies. Additionally, its well-defined structure makes it a useful intermediate in synthetic organic chemistry for constructing complex molecular frameworks.
trans,trans-4-Propyl-4-methoxy-bicyclohexyl structure
97398-80-6 structure
Product Name:trans,trans-4-Propyl-4-methoxy-bicyclohexyl
CAS No:97398-80-6
MF:C16H30O
MW:238.408805370331
MDL:MFCD12761281
CID:61895
PubChem ID:556851
Update Time:2025-11-05

trans,trans-4-Propyl-4-methoxy-bicyclohexyl Chemical and Physical Properties

Names and Identifiers

    • trans,trans-4-Propyl-4'-methoxybicyclohexyl
    • (Trans,trans)-4-methoxy-4'-propyl-1,1'-bi(cyclohexane)
    • 1,1'-Bicyclohexyl, 4-methoxy-4'-propyl-, (trans,trans)-
    • 1-methoxy-4-(4-propylcyclohexyl)cyclohexane
    • TRANS,TRANS-4-METHOXY-4'-N-PROPYL-1,1'-BICYCLOHEXYL
    • 1,1'-Bicyclohexyl,4-methoxy-4'-propyl
    • trans,trans-4-Methoxy-4'-propylbicyclohexyl
    • trans-1-methoxy-4-(trans-4-propylcyclohexyl)cyclohexane
    • trans,trans-4-Methoxy-4'-propyl-1,1'-bicyclohexane
    • 1,1'-Bicyclohexyl, 4-methoxy-4'-propyl-
    • 4-Methoxy-4'-propyl-1,1'-bicyclohexane
    • JMOYCPSDEMHCFG-UHFFFAOYSA-N
    • (trans,trans)-4-Methoxy-4′-propyl-1,1′-bicyclohexyl (ACI)
    • 3-HH-O1
    • 3O1CCH
    • CC-3-O1
    • CCH 3O1
    • CCH-301
    • trans,trans-4-Methoxy-4′-propylcyclohexylcyclohexane
    • DS-3250
    • trans,trans-4-Propyl-4-methoxy-bicyclohexyl
    • trans,trans-4-Methoxy-4'-propyl-1,1'-bicyclohexyl
    • trans,trans-4-Methoxy-4 inverted exclamation mark -propyl-1,1 inverted exclamation mark -bicyclohexyl
    • SCHEMBL5344425
    • CS-0059658
    • trans,trans-4-Propyl-4'-methoxy-bicyclohexyl
    • SCHEMBL8678273
    • DTXSID70339536
    • AKOS030228747
    • SCHEMBL8213162
    • trans,trans-4-Methoxy-4-n-propyl-1,1-bicyclohexyl
    • SY249774
    • SCHEMBL9351543
    • 97398-80-6
    • trans,trans-4-Methoxy-4a(2)-propylcyclohexylcyclohexane
    • TRANS,TRANS-4'-METHOXY-4-PROPYL-BICYCLOHEXYL
    • M3140
    • NS00040514
    • MFCD12761281
    • AKOS015918091
    • 4'-Methoxy-4-propyl-1,1'-bicyclohexyl
    • SCHEMBL4819484
    • SCHEMBL10341188
    • MDL： MFCD12761281
    • Inchi： 1S/C16H30O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16-
    • InChI Key： JMOYCPSDEMHCFG-BIAGXBKMSA-N
    • SMILES： C([C@@H]1CC[C@@H]([C@@H]2CC[C@@H](OC)CC2)CC1)CC

Computed Properties

  • Exact Mass: 238.23000
  • Monoisotopic Mass: 238.229665576g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 198
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.7
  • Topological Polar Surface Area: 9.2

Experimental Properties

  • Density: 0.9
  • Melting Point: 9°C(lit.)
  • Boiling Point: 145°C/0.34mmHg(lit.)
  • Flash Point: 127.2oC
  • Refractive Index: 1.471
  • PSA: 9.23000
  • LogP: 4.79810

trans,trans-4-Propyl-4-methoxy-bicyclohexyl Security Information

trans,trans-4-Propyl-4-methoxy-bicyclohexyl Customs Data

  • HS CODE：2909209000
  • Customs Data：

    China Customs Code:

    2909209000

    Overview:

    2909209000 Naphthenic ether\Cyclic ene ether [including its halogenation,sulfonation,Nitrosative or nitrosative derivatives and the above derivatives of cyclic terpene ethers].Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Summary:

    2909209000 other cyclanic, cyclenic or cyclotherpenic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

trans,trans-4-Propyl-4-methoxy-bicyclohexyl Pricemore >>

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trans,trans-4-Propyl-4-methoxy-bicyclohexyl Production Method

Production Method 1

Reaction Conditions
Reference
A process for preparing (trans,trans)-[1,1'-bicyclohexyl]-4-ol derivatives useful as intermediates of liquid crystals
, China, , ,

Production Method 2

Reaction Conditions
Reference
Heterocyclic liquid crystal constituents
, Federal Republic of Germany, , ,

Production Method 3

Reaction Conditions
Reference
Trans,trans-4-Alkyl-4'-alkoxybicyclohexyls
, Japan, , ,

Production Method 4

Reaction Conditions
Reference
Bicyclohexyl alkyl ethers in liquid crystalline compositions
, Japan, , ,

trans,trans-4-Propyl-4-methoxy-bicyclohexyl Preparation Products

trans,trans-4-Propyl-4-methoxy-bicyclohexyl Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:97398-80-6)反,反-4-甲氧基-4'-正丙基-1,1'-聯(lián)二環(huán)己烷
Order Number:LE26872778
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:59
Price ($):discuss personally

trans,trans-4-Propyl-4-methoxy-bicyclohexyl Related Literature

Additional information on trans,trans-4-Propyl-4-methoxy-bicyclohexyl

trans,trans-4-Propyl-4-methoxy-bicyclohexyl: A Comprehensive Overview

The compound with CAS No. 97398-80-6, known as trans,trans-4-propyl-4-methoxy-bicyclohexyl, is a unique bicyclic structure that has garnered significant attention in the fields of organic chemistry and materials science. This compound is characterized by its bicyclohexane framework, which consists of two fused six-membered rings with a specific stereochemistry at the 4-position, where a propyl group and a methoxy group are attached in a trans configuration.

The bicyclohexane system is a well-known structure in organic chemistry, often studied for its stability and versatility in various chemical reactions. The trans configuration of the substituents in this compound adds an additional layer of complexity to its properties, making it a subject of interest for researchers exploring stereochemistry and its impact on molecular behavior.

Recent studies have highlighted the potential of trans,trans-4-propyl-4-methoxy-bicyclohexyl in drug design and development. Its unique structure allows for interactions with biological targets that may not be accessible to more linear or less complex molecules. This has led to investigations into its role as a scaffold for novel pharmaceutical agents, particularly in the context of treating neurological disorders and cancer.

In addition to its biological applications, this compound has also been explored for its use in materials science. The rigid bicyclic structure provides mechanical stability, which makes it a candidate for advanced materials such as high-performance polymers and nanomaterials.

The synthesis of CAS No. 97398-80-6 involves multi-step organic reactions, often requiring precise control over stereochemistry to achieve the desired trans configuration. Researchers have developed efficient methodologies to synthesize this compound, including ring-closing metathesis and stereoselective additions.

Recent advancements in computational chemistry have enabled detailed modeling of the electronic properties of this compound. These studies have provided insights into its reactivity and potential applications in catalysis and energy storage technologies.

In conclusion, trans,trans-4-propyl-4-methoxy-bicyclohexyl, with CAS No. 97398-80-6, represents a fascinating example of how structural complexity can lead to diverse functional applications across multiple scientific disciplines.

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:97398-80-6)反,反-4-甲氧基-4'-正丙基-1,1'-聯(lián)二環(huán)己烷
LE26872778
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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