1-Acetyloxy-3-carboxyadamantane

Base Information

• Chemical Name: 1-Acetyloxy-3-carboxyadamantane
• CAS No.: 42711-78-4
• Molecular Formula: C13H18O4
• Molecular Weight: 238.284
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90384745
• Mol file: 42711-78-4.mol

Synonyms:42711-78-4;1-acetyloxy-3-carboxyadamantane;3-acetyloxyadamantane-1-carboxylic acid;3-(ACETYLOXY)-1-ADAMANTANECARBOXYLIC ACID;Enamine_005803;Oprea1_130970;SCHEMBL5607877;DTXSID90384745;CWYSSFRCRALTAK-UHFFFAOYSA-N;HMS1410H17;MFCD01790043;AKOS000270699;AKOS016040101;CCG-251420;IDI1_008038;3-(acetyloxy)adamantane-1-carboxylic acid

Chemical Property of 1-Acetyloxy-3-carboxyadamantane

Chemical Property:

• Vapor Pressure: 4.59E-06mmHg at 25°C
• Boiling Point: 357.1°C at 760 mmHg
• Flash Point: 133.8°C
• PSA: 63.60000
• Density: 1.27g/cm³
• LogP: 1.97310
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 238.12050905
• Heavy Atom Count: 17
• Complexity: 373

Purity/Quality:

3-(acetyloxy)-1-adamantanecarboxylicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)O

Technology Process of 1-Acetyloxy-3-carboxyadamantane

There total 1 articles about 1-Acetyloxy-3-carboxyadamantane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3-acetoxyadamantane-1-carboxylic acid (42711-78-4)

Guidance literature:

3-Hydroxy-adamantan-1-carbonsaeure (III), Acetylchlorid;

Reference yield: 91.9%

3-acetoxyadamantane-1-carboxylic acid (42711-78-4) → 3-bromoadamantane-1-carboxylic acid (21816-08-0)

Guidance literature:

With bromine; for 125h; Heating;

Downstream raw materials:

3-bromoadamantane-1-carboxylic acid