Eicosanedioic acid

Base Information

• Chemical Name: Eicosanedioic acid
• CAS No.: 2424-92-2
• Deprecated CAS: 150677-24-0
• Molecular Formula: C20H38 O4
• Molecular Weight: 342.519
• Hs Code.: 2917190090
• European Community (EC) Number: 679-934-1
• UNII: SOD235TGNZ
• DSSTox Substance ID: DTXSID7062407
• Nikkaji Number: J34.933J
• Wikidata: Q27144072
• Metabolomics Workbench ID: 1958
• Mol file: 2424-92-2.mol

Synonyms:Eicosanedioic acid;Icosanedioic acid;2424-92-2;1,18-octadecanedicarboxylic acid;Eicosanedioicacid;1,20-eicosanedioic acid;UNII-SOD235TGNZ;SOD235TGNZ;Eicosan-1,20-dioic acid;octadecamethylenedicarboxylic acid;MFCD00059627;Icosanedioic acid #;1,20-icosanedioic acid;eicosa-1,20-dioic acid;SCHEMBL213967;AMY052;DTXSID7062407;CHEBI:73728;1,18-octadecane dicarboxylic acid;SL 20;SL-20;LMFA01170035;AKOS024462905;HY-W034595;SS-5128;AC-32521;SY048222;CS-0085745;E0320;FT-0625650;W18722;J-015412;Q27144072

Chemical Property of Eicosanedioic acid

Chemical Property:

• Vapor Pressure: 1.57E-11mmHg at 25°C
• Melting Point: 127°C
• Refractive Index: 1.4430 (estimate)
• Boiling Point: 504.1°Cat760mmHg
• PKA: 4.48±0.10(Predicted)
• Flash Point: 272.8°C
• PSA: 74.60000
• Density: 0.984g/cm³
• LogP: 6.17740
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 342.27700969
• Heavy Atom Count: 24
• Complexity: 272

Purity/Quality:

99.0% ^*data from raw suppliers

Eicosanedioic Acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O
• Uses: Eicosanedioic Acid is an intermediate used to prepare haloperidol-based bivalent ligands targeting dopamine D2-like receptors.

Technology Process of Eicosanedioic acid

There total 38 articles about Eicosanedioic 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: 94.0%

1,20-eicos-10-enedioic acid (53481-04-2) → octadecane-1,18-dicarboxylic acid (2424-92-2)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In tetrahydrofuran; at 80 ℃; for 3h; under 7500.75 Torr;

Reference yield: 84.0%

C28H46O8 (81393-31-9) → octadecane-1,18-dicarboxylic acid (2424-92-2)

Guidance literature:

With hydrogenchloride; In water; Heating;

Reference yield: 82.6%

tert-butyl icosanedioic acid → eicosanedioic acid mono(1,1-dimethylethyl)ester (683239-16-9) + octadecane-1,18-dicarboxylic acid (2424-92-2)

Guidance literature:

With methanol; barium hydroxide octahydrate; tert-butyl alcohol; at 28 - 30 ℃; for 38h; Temperature; Reagent/catalyst;

upstream raw materials:

1,21-docosadiene

eicosanedinitrile

9,11-docosadiyn-1,20-dicarboxylic acid

7,14-dioxo-eicosanedioic acid

Downstream raw materials:

eicosanedioic acid mono(1,1-dimethylethyl)ester

eicosanedioic acid monobenzyl ester

octadecane

icosane-1,20-diyl bis(4-methylbenzenesulfonate)

Refernces

• 1、 -. "Preparation method of long-chain aliphatic dicarboxylic acid mono-tert-butyl ester". Paragraph 0037-0039; 0049-0053. . Retrieved 2021/07/09.
• 2、 -. "METHOD FOR THE SYNTHESIS OF DIACIDS OR DIESTERS FROM NATURAL FATTY ACIDS AND/OR ESTERS". Page/Page column 6. . Retrieved 2010/12/29.