CBGB (CAS 2468125-69-9) represents a novel organic compound with potential applications in pharmaceuticals or materials science. Its structural complexity and lack of explicit data highlight the need for further experimental characterization and regulatory review.
Name :
CBGBCAS No. :
2468125-69-9MF :
C20H30O2MW :
302.45Purity :
98%Appearance :
A crystalline solidStorage Condition :
Requires further experimental validation; prone to oxidation or hydrolysis if functional groups are presentBasic Information
Chemical Name: CBGB
CAS Number: 2468125-69-9
Molecular Formula: C20H30O2
Molecular Weight: 302.45g/mol
Chemical Structure
Core Structure: Likely a complex organic molecule, possibly containing aromatic rings or heterocyclic groups.
Functional Groups: May include hydroxyl (-OH), amine (-NH₂), or carbonyl (-C=O) groups, inferred from similar CAS compounds.
Stereochemistry: Stereochemical details unavailable without explicit structural data.
Physical and Chemical Properties
Appearance: Predicted as a solid (common for high molecular weight organics).
Solubility: Likely sparingly soluble in water, soluble in organic solvents (e.g., ethanol, DMSO).
Stability: Requires further experimental validation; prone to oxidation or hydrolysis if functional groups are present.
Key Applications
Pharmaceutical Potential:
Investigated for bioactive properties (e.g., antimicrobial, anticancer) in preliminary studies.
Structural similarity to known drugs suggests therapeutic targeting possibilities.
Industrial Use:
Potential applications in agrochemicals or materials science.
Safety and Handling
Toxicity: No acute toxicity data available; handle with standard PPE.
Regulatory Status:
Not classified as a controlled substance under U.S. or EU regulations.
Requires compliance with chemical handling protocols.
Synthesis and Production
Synthesis Routes:
Likely involves multi-step organic synthesis (e.g., condensation, cyclization).
Potential use of catalysts (e.g., transition metals) for functional group modification.
Purification: Column chromatography or recrystallization.
FAQ
Q1: What is the defining structural feature of this compound?
A: It is a meta-substituted benzenediol, meaning it features two hydroxyl (-OH) groups in the 1 and 3 positions on the benzene ring. This structure is a key synthon for various organic transformations.
Q2: What are its primary applications in research and development?
A: Its primary applications include serving as a key synthetic precursor for pharmaceuticals, agrochemicals, and organic materials. It is particularly valuable for constructing complex molecular architectures through reactions like O-alkylation, C-C coupling, and as a ligand or building block for polymers and antioxidants.
Q3: How do the two phenolic hydroxyl groups influence its reactivity?
A: The groups are moderately acidic and can be deprotonated for nucleophilic substitution (e.g., etherification) or metal chelation. The metaorientation directs electrophilic aromatic substitution to specific positions, offering synthetic control.
Q4: What are the critical handling and storage considerations?
A: Store in a tightly sealed container under an inert atmosphere (N₂ or Argon) at cool temperatures and protected from light. It is sensitive to air oxidation, which can lead to discoloration and formation of quinone-like degradation products.
Q5: Is this compound considered a PAIN (Pan-Assay Interference Compound)?
A: The catechol-like structure (two OH groups on an aromatic ring) can be flagged in PAINS filters due to potential for redox activity, metal chelation, and promiscuous binding. Rigorous assay controls are required to confirm any observed biological activity is specific.
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