10-Methylundecanoic acid

Base Information

• Chemical Name: 10-Methylundecanoic acid
• CAS No.: 2724-56-3
• Molecular Formula: C12H24O2
• Molecular Weight: 200.321
• Hs Code.: 2915900090
• European Community (EC) Number: 636-654-4
• DSSTox Substance ID: DTXSID70181693
• Nikkaji Number: J330.690I
• Wikidata: Q27158154
• Metabolomics Workbench ID: 75
• Mol file: 2724-56-3.mol

Synonyms:10-Methylundecanoic acid;isolauric acid;2724-56-3;Undecanoic acid, 10-methyl-;Isododecanoic acid;10-methyl-undecanoic acid;Undecanoic acid,10-methyl-;10-METHYLUNDECANOICACID;10-methyl-hendecanoic acid;AI3-05999;10-methylundecylic acid;10-methyl undecanoic acid;SCHEMBL839386;CHEBI:84889;DTXSID70181693;LMFA01020004;(S)-2-HYDROXYMETHYL-PENTANOICACID;FT-0694062;Q27158154

Chemical Property of 10-Methylundecanoic acid

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Melting Point: 38-39 °C
• Refractive Index: 1.446
• Boiling Point: 306.6 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 165.7 °C
• PSA: 37.30000
• Density: 0.903 g/cm³
• LogP: 3.84780
• Storage Temp.: −20°C
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 141

Purity/Quality:

98%Min ^*data from raw suppliers

10-METHYLUNDECANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCCCC(=O)O

Technology Process of 10-Methylundecanoic acid

There total 21 articles about 10-Methylundecanoic 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: 99.0%

ethyl 10-methylundecanoate (1253795-24-2) → isolauric acid (2724-56-3)

Guidance literature:

With sodium hydroxide; In ethanol; at 60 ℃; for 1h;

DOI:10.1002/chem.202103389

Reference yield: 88.0%

11-methyl-dodec-1-ene (106787-53-5) → isolauric acid (2724-56-3)

Guidance literature:

With potassium permanganate; tetrabutylammomium bromide; acetic acid; In dichloromethane; water; for 36h; Reflux;

DOI:10.3762/bjoc.9.210

Reference yield: 81.0%

10-methyl-1-undecanol (20194-45-0) → isolauric acid (2724-56-3)

Guidance literature:

With potassium permanganate; sodium hydroxide; In water; tert-butyl alcohol; at 20 ℃; for 16h;

DOI:10.1039/c9ob00990f

upstream raw materials:

3-methylbutyric acid

azelaic monomethyl ester

10-methyl-9-oxo-undecanoic acid methyl ester

4-(5-isobutyl-thiophen-2-yl)-butyric acid

Downstream raw materials:

C₂₃H₃₇NO₄

C₅₂H₇₂N₆O₁₁

C₂₆H₄₂N₂O₅

18-methylnonadecanoic acid

Refernces

• 1、 Leichnitz, Daniel,Pflanze, Sebastian,Beemelmanns, Christine. "Stereoselective synthesis of unnatural (2S, 3S)-6-hydroxy-4-sphingenine-containing sphingolipids". supporting information. p. 6964 - 6969. Retrieved 2019/08/01.
• 2、 Suzuki, Takayoshi,Ozasa, Hiroki,Itoh, Yukihiro,Zhan, Peng,Sawada, Hideyuki,Mino, Koshiki,Walport, Louise,Ohkubo, Rei,Kawamura, Akane,Yonezawa, Masato,Tsukada, Yuichi,Tumber, Anthony,Nakagawa, Hidehiko,Hasegawa, Makoto,Sasaki, Ryuzo,Mizukami, Tamio,Schofield, Christopher J.,Miyata, Naoki. "Identification of the KDM2/7 histone lysine demethylase subfamily inhibitor and its antiproliferative activity". . p. 7222 - 7231. Retrieved 2013/10/21.