17768-34-2

Basic information

• Product Name: 3-Bromo-1-adamantaneacetic acid
• Synonyms: 3-BroMoadaMantane-1-acetic acid;2-(3-Bromoadamantan-1-yl)acetic acid;3-Bromo-1-adamantaneacetic acid;(3-Bromo-1-adamantyl)acetic acid, 3-Bromotricyclo[3.3.1.13,7]decane-1-acetic acid;3-Bromoadamantane-1-acetic acid;3-Bromotricyclo[3.3.1.13,7]decane-1-acetic acid;HFGLWCBEPPFDDJ-VSKBNFNDSA-N
• CAS NO: 17768-34-2
• Molecular Formula: C₁₂H₁₇BrO₂
• Molecular Weight: 273.16618
• Product Categories: C11 to C12;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Building Blocks
• Mol File: 17768-34-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 194-200 °C
• Boiling Point: 373.3°Cat760mmHg
• Flash Point: 179.6°C
• Appearance: /
• Density: 1.556g/cm³
• Vapor Pressure: 0mmHg at 25°C
• PKA: 4.72±0.10(Predicted)
• CAS DataBase Reference: 3-Bromo-1-adamantaneacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromo-1-adamantaneacetic acid(17768-34-2)
• EPA Substance Registry System: 3-Bromo-1-adamantaneacetic acid(17768-34-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 17768-34-2(Hazardous Substances Data)

Usage

General Description

3-Bromo-1-adamantaneacetic acid is a chemical compound with the molecular formula C12H17BrO2. It is a derivative of 1-adamantaneacetic acid that contains a bromine atom attached to the third carbon of the adamantane ring. 3-Bromo-1-adamantaneacetic acid has been studied for its potential pharmacological properties, including its ability to inhibit the growth of cancer cells and its potential as a building block for the synthesis of pharmaceutical drugs. It is also a valuable intermediate for the production of various organic compounds and materials. Additionally, 3-Bromo-1-adamantaneacetic acid is known for its high stability and low toxicity, making it a versatile and useful chemical in various industries and research fields.

InChI:InChI=1/C12H17BrO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15)/p-1/t8-,9-,11?,12?/m1/s1

Upstream product

• 768-95-6 1-adamanthanol 
• 768-90-1 1-Adamantyl bromide 
• 4942-47-6 (adamant-1-yl)-acetic acid 

Downstream Products

• 203789-88-2 (3-bromo 1-adamantyl) (-)-menthyl acetate 
• 1424323-30-7 N-benzyloxy-2-(3-bromo-1-adamantyl)acetamide 
• 1424323-13-6 [3-(4-bromophenyl)-1-adamantyl]acetic acid 
• 1424323-11-4 [3-(4-chlorophenyl)-1-adamantyl]acetic acid 
• 1424323-09-0 [3-(4-methoxyphenyl)-1-adamantyl]acetic acid 
• 876866-55-6 [3-(4-methylphenyl)-1-adamantyl]acetic acid 
• 161036-56-2 3-phenyl-1-tricyclo[3.3.1.1^3,7]decaneacetic acid 
• 1424322-93-9 C₂₄H₂₇NO₂ 
• 1424322-91-7 C₁₈H₂₁N₃O₆ 
• 1424322-89-3 C₁₈H₂₂N₂O₄ 
• 1424322-87-1 C₁₈H₂₂BrNO₂ 
• 1424322-85-9 C₁₈H₂₂ClNO₂ 
• 1424322-83-7 C₁₉H₂₅NO₃ 
• 1424322-74-6 C₁₈H₂₃NO₂ 

Relevant articles and documents

Evaluation of adamantane hydroxamates as botulinum neurotoxin inhibitors: Synthesis, crystallography, modeling, kinetic and cellular based studies

Botulinum neurotoxins (BoNTs) are the most lethal biotoxins known to mankind and are responsible for the neuroparalytic disease botulism. Current treatments for botulinum poisoning are all protein based and thus have a limited window of treatment opportun

Synthese de quelques structures encombrees derivees de l'adamantane et de ses analogues par alkylation des ether d'enol trimethylsilyliques

Alkylation of trimethylsilyl enol ethers of 2,4-dimethyl-3-pentanone, cyclopentanone and cyclohexanone has been extended to alkylating agents with a cage structure (substituted or functionalized adamantyl, diamantyl, homoadamantyl and noradamantyl chlorides or bromides).This method affords some new cage structured aliphatic and alicyclic ketones.In some cases one observes a new TiCl4 promoted reaction where the bromine in the alkylating agent is replaced by chlorine.This work is a generalization of our previous extended studies on α-alkylation of ketones with tertiary alkylating agents.