2,6-Dioxoadamantane-1,3,5,7-tetracarboxylic acid

Base Information

• Chemical Name: 2,6-Dioxoadamantane-1,3,5,7-tetracarboxylic acid
• CAS No.: 40460-17-1
• Molecular Formula: C₁₄H₁₂O₁₀
• Molecular Weight: 340.243
• NSC Number: 117489
• DSSTox Substance ID: DTXSID00297716
• Nikkaji Number: J2.337.563J
• Wikidata: Q82039021
• ChEMBL ID: CHEMBL1741786,CHEMBL2001824
• Mol file: 40460-17-1.mol

Synonyms:NSC117489;40460-17-1;NSC-117489;2,6-dioxoadamantane-1,3,5,7-tetracarboxylic acid;NCIStruc1_001384;NCIStruc2_001186;SCHEMBL1317348;CHEMBL1741786;CHEMBL2001824;DTXSID00297716;CCG-36575;NCGC00014190;NCI117489;NCGC00014190-02;NCGC00097299-01;NCI60_000419;2,6-dioxo-1,3,5,7-adamantanetetracarboxylic acid

Chemical Property of 2,6-Dioxoadamantane-1,3,5,7-tetracarboxylic acid

Chemical Property:

• Vapor Pressure: 3.59E-15mmHg at 25°C
• Boiling Point: 584.4°C at 760 mmHg
• Flash Point: 321.2°C
• Density: 2.12g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 340.04304658
• Heavy Atom Count: 24
• Complexity: 620

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2(CC3(CC(C2=O)(CC1(C3=O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Technology Process of 2,6-Dioxoadamantane-1,3,5,7-tetracarboxylic acid

There total 1 articles about 2,6-Dioxoadamantane-1,3,5,7-tetracarboxylic acid 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:

tetramethyl adamantane-2,6-dione-1,3,5,7-tetracarboxylate (53120-57-3) → adamantane-2,6-dione-1,3,5,7-tetracarboxylic acid (40460-17-1)

Guidance literature:

With hydrogenchloride; acetic acid;

Reference yield:

adamantane-2,6-dione-1,3,5,7-tetracarboxylic acid (40460-17-1) + phenylhydrazine (100-63-0) → bis(phenylpyrazolone-5)-<1,2-b,e>adamantane-1,7-dicarboxylic acid (82240-32-2)

Guidance literature:

With potassium hydroxide; In diethylene glycol; 1) 120-140 deg C, 4h; 2) 180-200 deg C, 8h;

DOI:10.1007/BF00503563

upstream raw materials:

tetramethyl adamantane-2,6-dione-1,3,5,7-tetracarboxylate

Downstream raw materials:

bis(phenylpyrazolone-5)-<1,2-b,e>adamantane-1,7-dicarboxylic acid

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