2-Decenoic acid

Base Information

• Chemical Name: 2-Decenoic acid
• CAS No.: 334-49-6
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2916190090
• European Community (EC) Number: 206-378-5,247-698-5,223-475-8,615-866-0
• UNII: 332T8TH7B1
• DSSTox Substance ID: DTXSID20904657
• Nikkaji Number: J98.042K,J79.875D
• Wikidata: Q27122082
• NCI Thesaurus Code: C68338
• Metabolomics Workbench ID: 464
• ChEMBL ID: CHEMBL2229622
• Mol file: 334-49-6.mol

Synonyms:2-decenoic acid;2-decenoic acid, (E)-isomer;cis-2-decenoic acid

Chemical Property of 2-Decenoic acid

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Melting Point: 18.83°C (estimate)
• Refractive Index: 1.46-1.464
• Boiling Point: 278.6°Cat760mmHg
• PKA: 4.81±0.10(Predicted)
• Flash Point: 185°C
• PSA: 37.30000
• Density: 0.936g/cm³
• LogP: 2.98770
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98% ^*data from raw suppliers

trans-2-Decenoic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC=CC(=O)O
• Isomeric SMILES: CCCCCCC/C=C/C(=O)O
• Description: trans-2-Decenoic acid is an unsaturated fatty acid found in royal jelly produced from the hypopharyngeal and mandibular gland secretions of honeybees. It is isolated in conjunction with 10-HDA and both demonstrate weak estrogenic activity, inhibiting binding of 17β-estradiol to estrogen receptor β.
• Uses: trans-2-Decenoic acid demonstrates weak estrogenic activity, inhibiting binding of 17β-estradiol (E888000) to estrogen receptor β.

Technology Process of 2-Decenoic acid

There total 34 articles about 2-Decenoic 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: 93.0%

Octanal (124-13-0) + malonic acid (141-82-2) → trans-2-decenoic acid (334-49-6)

Guidance literature:

With pyrrolidine; pyridine; at 20 ℃; for 20h;

DOI:10.1039/d0cc02498h

Reference yield: 92.0%

N-[(E)-dec-2-enoyl]morpholine (956830-72-1) → trans-2-decenoic acid (334-49-6)

Guidance literature:

With potassium tert-butylate; water; In tetrahydrofuran; for 12h; Heating;

DOI:10.1021/jo701417z

Reference yield: 89.0%

1-decanoic acid (334-48-5) → trans-2-decenoic acid (334-49-6)

Guidance literature:

1-decanoic acid; With Zn(2,2,6,6-tetramethylpiperidine)_2*2LiCl; zinc(II) chloride; In tetrahydrofuran; at -40 ℃; for 1.5h; Inert atmosphere; Sealed tube;

With bis(η3-allyl-μ-chloropalladium(II)); Allyl acetate; In tetrahydrofuran; at -40 - 60 ℃; for 12h; diastereoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201706893

upstream raw materials:

carbon dioxide

(Z)-1-iodo-1-nonene

Hept₂CuLi

acetylene

Downstream raw materials:

methyl (E)-dec-2-enoate

1-decanoic acid

Refernces

• 1、 -. "ANTI-BACTERIAL CALCIUM-DEPENDENT ANTIBIOTIC (CDA) ANALOGS AND METHODS OF TREATING BACTERIAL INFECTIONS". Paragraph 0134; 0136. . Retrieved 2021/10/22.
• 2、 B?ttcher, Thomas,Dieterich, Cora Lisbeth,Prothiwa, Michaela,Szamosvári, Dávid. "Profiling structural diversity and activity of 2-alkyl-4(1H)-quinoloneN-oxides ofPseudomonasandBurkholderia". supporting information. p. 6328 - 6331. Retrieved 2020/06/21.