2-Methylundecanoic acid

Base Information

• Chemical Name: 2-Methylundecanoic acid
• CAS No.: 24323-25-9
• Molecular Formula: C12H24O2
• Molecular Weight: 200.321
• Hs Code.: 2915900090
• European Community (EC) Number: 246-164-9
• DSSTox Substance ID: DTXSID00884903
• Nikkaji Number: J287.214E
• Wikidata: Q72492364
• Metabolomics Workbench ID: 124
• Mol file: 24323-25-9.mol

Synonyms:2-Methylundecanoic acid;24323-25-9;Undecanoic acid, 2-methyl-;2-methyl-undecanoic acid;Undecanoic acid,2-methyl-;EINECS 246-164-9;2-methyl undecanoic acid;SCHEMBL220905;DTXSID00884903;CHEBI:179754;LMFA01020053;MFCD00060837;FT-0715625;F72672

Chemical Property of 2-Methylundecanoic acid

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Melting Point: 13 °C
• Refractive Index: 1.446
• Boiling Point: 306.6 °C at 760 mmHg
• PKA: 4.83±0.21(Predicted)
• Flash Point: 165.7 °C
• PSA: 37.30000
• Density: 0.903 g/cm³
• LogP: 3.84780
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methylundecanoic acid

There total 14 articles about 2-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: 96.0%

2-methylundecanoic acid methyl ester (55955-69-6) → undecanoic acid, 2-methyl (24323-25-9)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 16h; Heating;

Reference yield: 77.0%

(E)-2-methylundec-2-enoic acid (131330-73-9) → undecanoic acid, 2-methyl (24323-25-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 50 ℃; for 3.01667h; Schlenk technique;

DOI:10.1002/anie.201307465

Reference yield: 59.0%

C20H32N2O4 (1579830-23-1) → undecanoic acid, 2-methyl (24323-25-9) + 5-methoxy-N-methyl-2-nitrosoaniline (1579831-01-8) + N-methyl-5-methoxy-2-nitroaniline (69397-93-9)

Guidance literature:

In water; acetonitrile; for 1.5h; Photolysis;

DOI:10.1002/anie.201307465

upstream raw materials:

methyl-nonyl-malonic acid

methyl-nonyl-malonic acid diethyl ester

2-methylundecanal

2-methylundecanoic acid methyl ester

Downstream raw materials:

C₂₀H₃₂N₂O₄

Refernces

• 1、 Judkins, Joshua C.,Mahanti, Parag,Hoffman, Jacob B.,Yim, Isaiah,Antebi, Adam,Schroeder, Frank C.. "A photocleavable masked nuclear-receptor ligand enables temporal control of C.elegans development". . p. 2110 - 2113. Retrieved 2014/03/21.
• 2、 Zakharkin, L. I.,Guseva, V. V.,Kamernitskii, D. A.. "PRODUCTION OF METHYL 2-METHYLENE-5,10-UNDECADIENOATE FROM BUTADIENE AND METHYL METHACRYLATE AT A HOMOGENEOUS COMPLEX NICKEL CATALYST AND SOME OF ITS TRANSFORMATIONS". . p. 1056 - 1059. Retrieved 2007/10/02.