Heptadecanedioic acid

Base Information

• Chemical Name: Heptadecanedioic acid
• CAS No.: 2424-90-0
• Molecular Formula: C17H32 O4
• Molecular Weight: 300.439
• Hs Code.: 2917190090
• European Community (EC) Number: 680-034-6
• DSSTox Substance ID: DTXSID0074340
• Nikkaji Number: J22.524J
• Wikidata: Q82002711
• Metabolomics Workbench ID: 1952
• Mol file: 2424-90-0.mol

Synonyms:Heptadecanedioic acid;2424-90-0;1,17-heptadecanedioic acid;MFCD00673439;HEPTADECANEDIOICACID;H0972;SCHEMBL160390;AMY031;DTXSID0074340;CHEBI:165386;QCNWZROVPSVEJA-UHFFFAOYSA-N;1,15-Pentadecanedicarboxylic Acid;LMFA01170028;AS-57541;SY054092;CS-0085871;T72138;EN300-7363801;A817168;Z2574926761

Chemical Property of Heptadecanedioic acid

Chemical Property:

• Vapor Pressure: 4.21E-10mmHg at 25°C
• Melting Point: 121 °C
• Boiling Point: 469.2°Cat760mmHg
• PKA: 4.48±0.10(Predicted)
• Flash Point: 251.7°C
• PSA: 74.60000
• Density: 1.006g/cm³
• LogP: 5.00710
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 300.23005950
• Heavy Atom Count: 21
• Complexity: 238

Purity/Quality:

98%,99%, ^*data from raw suppliers

Heptadecanedioic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCC(=O)O)CCCCCCCC(=O)O

Technology Process of Heptadecanedioic acid

There total 58 articles about Heptadecanedioic 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: 97.6%

methyl 16-cyanohexadecanoate (151276-57-2) → heptadecanedioic acid (2424-90-0)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; methanol; water; for 48h; Reflux;

DOI:10.1021/acs.jmedchem.0c01576

Reference yield: 74.0%

1,13-bis(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)tridecane (1374572-51-6) → heptadecanedioic acid (2424-90-0)

Guidance literature:

With hydrogenchloride; water; Reflux;

DOI:10.1002/ejoc.201101563

Reference yield: 66.0%

9-oxo-heptadecanedioic acid (1502-36-9) → heptadecanedioic acid (2424-90-0)

Guidance literature:

DOI:10.1080/00021369.1984.10866288

upstream raw materials:

1,13-dibromotridecane

sodium diethylmalonate

17-hydroxy-heptadecanoic acid

9-oxo-heptadecanedioic acid

Downstream raw materials:

dimethyl heptadecane-1,17-dioate

heptadecanedioic acid monomethyl ester

pentadecane

17-hydroxy-heptadecanoic acid methyl ester

Refernces

• 1、 Blomquist et al.. "-". . p. 4203. Retrieved 1952.
• 2、 -. "Peptides for Treatment of Obesity". . . Retrieved 2013/03/26.
• 3、 Kondo,Miyazaki,Yada,et al.. "Synthesis of higher homologs of bifunctional L-lysine derivatives with phage-inactivating effect". . p. 1263 - 1267. Retrieved 2007/10/02.