📌Basic Information
| Product name | methyl 3-hydroxybicyclo[1.1.1]pentane-1-carboxylate |
| Synonym | methyl 3-hydroxybicyclo[1.1.1]pentane-1-carboxylate;Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-hydroxy-, methyl ester |
| CAS NO. | 2092825-26-6 |
| Appearance | Light yellow or off-white solid |
| Content | ≥98.0% |
| MF | C7H10O3 |
| MW | 142.15 |
| Related Categories | ACETYLGROUP |
| Transport Information | Synthetic intermediates and pharmaceutical intermediates |
| HS Code | 2942000000 |
| Application | Synthetic intermediates and pharmaceutical intermediates |
| Packaging | 100g/bottle；1.0kg/bottle；10.0/drum；25.0kg/drum |
| Contact Info | lucy@coreychem.com |
📋Information
Chinese name: 3-Hydroxybicyclo[1.1.1]pentane-1-carboxylate methyl ester
English name:
CAS number: 2092825-26-6
Molecular formula: C₇H₁₀O₃
Molecular weight: 142.15 g/mol
MDL number: MFCD30802629
Structural formula: Bicyclo[1.1.1]pentane skeleton with hydroxyl and methyl ester groups
🔍Physical and chemical properties
Appearance: Light yellow or off-white solid
Purity: 95%-98% (varies depending on the supplier)
LogP: -0.23
Heavy atom count: 10
Rotatable bond count: 2
Ring count: 2
Hydrogen bond acceptor count: 3
Hydrogen bond donor count: 1 (from hydroxyl group)
Polar surface area (PSA): 47 Ų
Storage conditions: 2-8°C, store in a sealed and dry environment
💊Core applications and values
Important intermediates in medicinal chemistry
This compound belongs to the functionalized derivatives of the bicyclo[1.1.1]pentane (BCP) framework and holds significant value in drug design:
Properties Explanation
Bioelectronic equivalent BCP framework can serve as a “three-dimensional” bioelectronic equivalent for benzene rings, tertiary butyl groups, or acetylene groups, and is used for structural modification of drug molecules.
Pharmacological advantages Introducing the BCP framework can significantly improve the metabolic stability, water solubility, and membrane permeability of drugs.
Modifiability The hydroxyl group (-OH) and methyl ester group (-COOCH₃) in the molecule provide good reactivity, which can be further converted into various derivatives such as carboxylic acids, amines, and halides.
Application fields of the research
Based on the existing studies, the BCP derivatives of this compound demonstrate potential in the following areas:
Research on anti-tumor drug development: Studies have shown that BCP derivatives exhibit anti-tumor activity by regulating the biological pathways related to tumor growth and metastasis.
Development of analgesic drugs: BCP compounds have been studied for their interaction with pain receptors, and the results show that they are more effective than traditional analgesics.
Anti-inflammatory research: Certain derivatives can down-regulate pro-inflammatory cytokines in macrophages.
📧 Contact Info
lucy@coreychem.com
