11-Dodecenoic acid

Base Information

• Chemical Name: 11-Dodecenoic acid
• CAS No.: 65423-25-8
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.305
• Hs Code.: 2916190090
• UNII: 49K7IVS77N
• DSSTox Substance ID: DTXSID10215729
• Nikkaji Number: J98.081A
• Wikidata: Q27117701
• Metabolomics Workbench ID: 478
• Mol file: 65423-25-8.mol

Synonyms:11-dodecenoic acid

Chemical Property of 11-Dodecenoic acid

Chemical Property:

• Vapor Pressure: 0.000219mmHg at 25°C
• Melting Point: 20°C
• Refractive Index: 1.4510
• Boiling Point: 303.2°C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 200.3°C
• PSA: 37.30000
• Density: 0.916g/cm³
• LogP: 3.76790
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 152

Purity/Quality:

99%, ^*data from raw suppliers

11-DodecenoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 11-Dodecenoic acid

There total 3 articles about 11-Dodecenoic 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: 96.0%

1-undecen-11-ylbromide (7766-50-9) + carbon dioxide (124-38-9,18923-20-1) → 11-dodecenoic acid (65423-25-8)

Guidance literature:

1-undecen-11-ylbromide; With magnesium; In diethyl ether; for 11h;

carbon dioxide; In diethyl ether; for 2h;

DOI:10.1515/znb-2004-0812

Reference yield: 18.0%

1,10-decadiene (1647-16-1) + acetic anhydride (108-24-7) → 11-dodecenoic acid (65423-25-8) + 1,14-tetradecanedioic acid (821-38-5)

Guidance literature:

With oxygen; cobalt(II) acetate; manganese(II) acetate; In acetic acid; at 130 ℃; for 5h;

DOI:10.1021/jo034584+

Reference yield:

12-iodododecan-1-oic acid (71736-19-1) → 11-dodecenoic acid (65423-25-8) + 12-fluorododecanoic acid (593-11-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In dimethyl sulfoxide; at 20 ℃; for 4h; Title compound not separated from byproducts.;

DOI:10.1055/s-2006-950204

upstream raw materials:

1-undecen-11-ylbromide

carbon dioxide

1,10-decadiene

acetic anhydride

Downstream raw materials:

azelaic acid

1-decanoic acid

1,2-di-(11'-dodecenoyl)-3-(p-methoxybenzyl)-sn-glycerol

13-Hydroxymyristic acid

Refernces

• 1、 Ritchhart, Andrew,Cossairt, Brandi M.. "Quantifying Ligand Exchange on InP Using an Atomically Precise Cluster Platform". supporting information. p. 2840 - 2847. Retrieved 2019/02/14.
• 2、 Rusch, Marion,Zimmermann, Tobias J.,Bürger, Marco,Dekker, Frank J.,G?rmer, Kristina,Triola, Gemma,Brockmeyer, Andreas,Janning, Petra,B?ttcher, Thomas,Sieber, Stephan A.,Vetter, Ingrid R.,Hedberg, Christian,Waldmann, Herbert. "Identification of acyl protein thioesterases 1 and 2 as the cellular targets of the ras-signaling modulators palmostatin B and M". supporting information; experimental part. p. 9838 - 9842. Retrieved 2011/12/02.