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5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID is a chemical compound derived from adamantane, featuring a 5,7-dimethyladamantane backbone and two carboxylic acid functional groups. Its unique diamondoid structure and rigid, bulky nature contribute to its potential applications in various fields, including organic synthesis, medicinal chemistry, and material science. 5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID serves as a valuable building block for creating new molecules with specific functionality and biological activity.

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  • 13928-68-2 Structure
  • Basic information

    1. Product Name: 5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID
    2. Synonyms: 5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID;5,7-DIMETHYL-1,3-ADAMANTANEDICARBOXYLIC ACID;tricyclo[3.3.1.1~3,7~]decane-1,3-dicarboxylic acid, 5,7-di;1,3-DiMethyl-5,7-adaMantanedicarboxylic acid
    3. CAS NO:13928-68-2
    4. Molecular Formula: C14H20O4
    5. Molecular Weight: 252.31
    6. EINECS: N/A
    7. Product Categories: Adamantane derivatives
    8. Mol File: 13928-68-2.mol
  • Chemical Properties

    1. Melting Point: 273-274℃ (acetic acid )
    2. Boiling Point: 371.4°C at 760 mmHg
    3. Flash Point: 192.6°C
    4. Appearance: /
    5. Density: 1.379±0.06 g/cm3 (20 ºC 760 Torr)
    6. Vapor Pressure: 1.55E-06mmHg at 25°C
    7. Refractive Index: 1.61
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID(13928-68-2)
    12. EPA Substance Registry System: 5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID(13928-68-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 13928-68-2(Hazardous Substances Data)

13928-68-2 Usage

Uses

Used in Organic Synthesis:
5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID is used as a building block in organic synthesis for creating new molecules with specific functionality. Its rigid and bulky structure allows for the development of advanced materials with unique physical and chemical properties.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID is used as a key component in the design and synthesis of pharmaceutical compounds. Its unique structure and properties can contribute to the development of new drugs with enhanced biological activity and therapeutic potential.
Used in Material Science:
5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID is utilized in material science for the development of advanced materials. Its rigid and bulky structure can influence the physical and chemical properties of materials it is incorporated into, making it useful in creating materials with improved performance characteristics.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID is used as a starting material for the synthesis of drug candidates. Its unique structure and properties can contribute to the development of new drugs with specific therapeutic targets and improved efficacy.
Used in Chemical Research:
5,7-DIMETHYLADAMANTANE-1,3-DICARBOXYLIC ACID is employed in chemical research as a model compound for studying the properties and behavior of diamondoid structures. Its unique structure allows researchers to explore new reaction pathways and develop innovative synthetic methods.

Check Digit Verification of cas no

The CAS Registry Mumber 13928-68-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,9,2 and 8 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 13928-68:
(7*1)+(6*3)+(5*9)+(4*2)+(3*8)+(2*6)+(1*8)=122
122 % 10 = 2
So 13928-68-2 is a valid CAS Registry Number.
InChI:InChI=1/C14H20O4/c1-11-3-12(2)6-13(4-11,9(15)16)8-14(5-11,7-12)10(17)18/h3-8H2,1-2H3,(H,15,16)(H,17,18)

13928-68-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

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

1.2 Other means of identification

Product number -
Other names 1,3-Me2-5,7-Ad(COOH)2

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13928-68-2 SDS

13928-68-2Relevant articles and documents

Adamantane-containing esters as potential components of thermostable lubricating oils

Bagrii,Maravin

, (2013)

Some esters of dimethyladamantanedicarboxylic acids with aliphatic alcohols and the ester of dimethyladamantanedicarbinol with an aliphatic acid have been synthesized, and their properties have been studied; their viscosity-temperature properties and ther

The first selective one-pot synthesis of 1,3-dicarbonyl adamantanes from adamantane and 1,3-dimethyladamantane

Akhrem, Irena S.,Avetisyan, Dzhul'Etta V.,Afanas'Eva, Luidmila V.

supporting information; experimental part, p. 3493 - 3496 (2012/08/27)

A new approach to a simple one-pot functionalization of adamantane and 1,3-dimethyladamantane with CO and various nucleophiles in the presence of the superelectrophilic complex, CBr4·2AlBr3 provides access to important 1,3-dicarbonyl adamantanes with two new functional groups at the bridge-head positions.

The first one-pot synthesis of 1,3-dicarbonyl adamantanes from 1-bromoadamantanes

Akhrem, Irena S.,Avetisyan, Dzhul'Etta V.,Afanas'Eva, Lyudmila V.,Goryunov, Evgenii I.,Churilova, Irina M.,Petrovskii, Pavel V.,Kagramanov, Nikolai D.

experimental part, p. 259 - 261 (2012/07/14)

Treatment of 1-bromoadamantane and 1-bromo-3,5-dimethyladamantane with CBr4·2AlBr3 under carbon monoxide atmosphere followed by quenching with nucleophiles affords 1,3-dicarbonyl adamantanes.

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