5,7-Dimethyladamantane-1,3-dicarboxylic acid

Base Information

• Chemical Name: 5,7-Dimethyladamantane-1,3-dicarboxylic acid
• CAS No.: 13928-68-2
• Molecular Formula: C14H20O4
• Molecular Weight: 252.31
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID40385722
• Nikkaji Number: J2.252.904H
• Wikidata: Q72468781
• Mol file: 13928-68-2.mol

Synonyms:5,7-dimethyladamantane-1,3-dicarboxylic acid;13928-68-2;1,3-Dimethyl-5,7-adamantanedicarboxylic acid;UNM000000504801;Cambridge id 5347789;Oprea1_190570;5,7-DIMETHYL-1,3-ADAMANTANEDICARBOXYLIC ACID;SCHEMBL2745710;DTXSID40385722;MFCD01825788;AKOS001484822;NCGC00330543-01;LS-04353;EU-0068172;FT-0683783;AB00081948-01;AB00081948-03;SR-01000400492;SR-01000400492-1;5,7-dimethyladamantane-1,3-dicarboxylic acid, AldrichCPR

Chemical Property of 5,7-Dimethyladamantane-1,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 1.55E-06mmHg at 25°C
• Melting Point: 273-274℃ (acetic acid )
• Boiling Point: 371.4°C at 760 mmHg
• Flash Point: 192.6°C
• PSA: 74.60000
• Density: 1.379±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.52240
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 252.13615911
• Heavy Atom Count: 18
• Complexity: 399

Purity/Quality:

98%min ^*data from raw suppliers

5,7-Dimethyladamantane-1,3-dicarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3(CC(C1)(CC(C2)(C3)C(=O)O)C(=O)O)C

Technology Process of 5,7-Dimethyladamantane-1,3-dicarboxylic acid

There total 5 articles about 5,7-Dimethyladamantane-1,3-dicarboxylic 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: 90.0%

formic acid (64-18-6) + 1,3-dimethyladamantane (702-79-4) → 5,7-dimethyladamantane-1,3-dicarboxylic acid (13928-68-2)

Guidance literature:

With sulfuric acid; at 20 - 28 ℃; for 5h;

DOI:10.1134/S0965544113060029

Reference yield: 60.0%

1,3-dimethyladamantane (702-79-4) + carbon monoxide (201230-82-2) → 5,7-dimethyladamantane-1,3-dicarboxylic acid (13928-68-2)

Guidance literature:

1,3-dimethyladamantane; carbon monoxide; With Al₂Br₇^(1-)*CBr₃⁽¹⁺⁾; In 1,1-dibromomethane; at 20 ℃; for 0.75h; under 760.051 Torr;

With water; In 1,1-dibromomethane; chemoselective reaction; Cooling;

DOI:10.1016/j.tetlet.2012.04.125

Reference yield: 60.0%

carbon monoxide (201230-82-2) + 3,5-dimethyl-1-bromoadamantane (941-37-7) → 5,7-dimethyladamantane-1,3-dicarboxylic acid (13928-68-2)

Guidance literature:

carbon monoxide; 3,5-dimethyl-1-bromoadamantane; With aluminum tri-bromide; carbon tetrabromide; In methylene dibromide; at 0 - 20 ℃; for 3h; under 760.051 Torr;

With water; In methylene dibromide; at 0 ℃;

DOI:10.1016/j.mencom.2011.09.009

upstream raw materials:

formic acid

1,3?dibromo?5,7?dimethyladamantane

carbon monoxide

3,5-dimethyl-1-bromoadamantane

Downstream raw materials:

1,3-dihydroxy-5,7-dimethyladamantane

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