9-Formylnonanoic acid

Base Information

• Chemical Name: 9-Formylnonanoic acid
• CAS No.: 5578-80-3
• Molecular Formula: C10H18 O3
• Molecular Weight: 186.251
• European Community (EC) Number: 226-958-1
• NSC Number: 65617
• UNII: 43VX3L2AUT
• DSSTox Substance ID: DTXSID00204344
• Nikkaji Number: J225.032B
• Wikidata: Q27102226
• Metabolomics Workbench ID: 1585
• Mol file: 5578-80-3.mol

Synonyms:9-Formylnonanoic acid;10-oxodecanoic acid;5578-80-3;10-oxocapric acid;Sebacaldehydic acid;10-oxo-decanoic acid;43VX3L2AUT;EINECS 226-958-1;NSC-65617;Decanoic acid, 10-oxo-;10-oxodecanoicacid;sebacic semialdehyde;omega-oxocapric acid;omega-oxodecanoic acid;9-aldehydononanoic acid;9-formylpelargonic acid;UNII-43VX3L2AUT;NCIOpen2_000111;SCHEMBL380888;CHEBI:17130;DTXSID00204344;NSC65617;LMFA01060078;NSC 65617;C02217;Q27102226

Chemical Property of 9-Formylnonanoic acid

Chemical Property:

• Vapor Pressure: 7.13E-05mmHg at 25°C
• Melting Point: 110 °C
• Boiling Point: 319.4°Cat760mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 161.2°C
• PSA: 54.37000
• Density: 1.003g/cm³
• LogP: 2.39070
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCC(=O)O)CCCC=O
• Uses: 10-Oxodecanoic Acid is used as a reactant in the preparation of fluorescent probe-based reactome array for detection, immobilization and isolation of enzymes.

Technology Process of 9-Formylnonanoic acid

There total 22 articles about 9-Formylnonanoic 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: 88.0%

sodium 9-carboxy-1-hydroxynonane-1-sulfonate → ω-oxydecanocarboxylic acid (5578-80-3)

Guidance literature:

With formaldehyd; In tert-butyl methyl ether; at 20 ℃; for 15h; Inert atmosphere;

DOI:10.1002/hlca.201600242

Reference yield: 84.0%

10,11-dihydroxyundecanoic acid (32779-22-9) → ω-oxydecanocarboxylic acid (5578-80-3)

Guidance literature:

With sodium periodate; In 1,4-dioxane; water; at 20 ℃; for 1.33333h;

DOI:10.1080/14786410903194498

Reference yield: 84.0%

dec-9-ynoic acid (1642-49-5) → ω-oxydecanocarboxylic acid (5578-80-3)

Guidance literature:

With (2-(diphenylphosphino)-6-(2,4,6-triisopropylphenyl)pyridine); chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II); water; In acetone; at 160 ℃; for 0.25h; Microwave irradiation; Inert atmosphere;

DOI:10.1002/hlca.201600242

upstream raw materials:

1,11-dodecadiene

10-undecenoic acid

methanol

(Z)-cyclodecene

Downstream raw materials:

10-oxo-decanoic acid methyl ester

10-hydroxystearic acid

trans-traumatic acid

10,10-Bis-phenylselanyl-decanoic acid methyl ester

Refernces

• 1、 Morimoto, Mariko,Cao, Wendy,Bergman, Robert G.,Raymond, Kenneth N.,Toste, F. Dean. "Chemoselective and Site-Selective Reductions Catalyzed by a Supramolecular Host and a Pyridine-Borane Cofactor". supporting information. p. 2108 - 2114. Retrieved 2021/02/06.
• 2、 Kowalski, John P.,Mcdonald, Matthew G.,Pelletier, Robert D.,Hanenberg, Helmut,Wiek, Constanze,Rettie, Allan E.. "Design and characterization of the first selective and potent mechanism-based inhibitor of cytochrome p450 4z1". . p. 4824 - 4836. Retrieved 2020/06/08.