3,7,11-Trimethyldodecanoic acid

Base Information

• Chemical Name: 3,7,11-Trimethyldodecanoic acid
• CAS No.: 1190-55-2
• Molecular Formula: C₁₅H₃₀O₂
• Molecular Weight: 242.402
• DSSTox Substance ID: DTXSID10922845
• Nikkaji Number: J38.659F
• Metabolomics Workbench ID: 306
• Mol file: 1190-55-2.mol

Synonyms:2,6,10-trimethylundecane-1-carboxylic acid;2,6,10-trimethylundecane-1-carboxylic acid, sodium salt

Chemical Property of 3,7,11-Trimethyldodecanoic acid

Chemical Property:

• Vapor Pressure: 7.86E-06mmHg at 25°C
• Boiling Point: 349.9°C at 760 mmHg
• Flash Point: 156.6°C
• PSA: 37.30000
• Density: 0.891g/cm³
• LogP: 4.72990
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 199

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,7,11-Trimethyldodecanoic acid

There total 14 articles about 3,7,11-Trimethyldodecanoic 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: 72.0%

3,7,11-trimethyldodecyl alcohol (6750-34-1) → 3R(+),7RS-3,7,11-trimethyldodecanoic acid (1190-55-2,13852-96-5,13955-73-2,42763-75-7,42763-79-1,57030-81-6)

Guidance literature:

With Jones reagent; In isopropyl alcohol; acetone; at 0 ℃; for 4h; Inert atmosphere;

DOI:10.1055/s-0031-1289689

Reference yield:

(3R)-citronellol (1117-61-9) → (3Ξ,7R)-3,7,11-trimethyl-dodecanoic acid (1190-55-2,13852-96-5,13955-73-2,42763-75-7,42763-79-1,57030-81-6)

Guidance literature:

Multi-step reaction with 5 steps

1: H₂ / Pd-SrCO₃ / ethyl acetate

2: aq. HBr, H₂SO₄ / Heating

3: methanol / 168 h / Heating

4: KOH / aq. ethanol / 168 h / Heating

5: (i) NaOMe, (electrolysis), (ii) NaOH

With potassium hydroxide; sulfuric acid; hydrogen bromide; hydrogen; Pd/SrCO₃; In methanol; ethanol; ethyl acetate;

DOI:10.1039/j39660002144

Reference yield:

(R)-1-bromo-3,7-dimethyloctane (59965-20-7) → (3Ξ,7R)-3,7,11-trimethyl-dodecanoic acid (1190-55-2,13852-96-5,13955-73-2,42763-75-7,42763-79-1,57030-81-6)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol / 168 h / Heating

2: KOH / aq. ethanol / 168 h / Heating

3: (i) NaOMe, (electrolysis), (ii) NaOH

With potassium hydroxide; In methanol; ethanol;

DOI:10.1039/j39660002144

upstream raw materials:

3,7,11-trimethyl-dodeca-2,4,10-trienoic acid

3,7,11-trimethyl-dodec-2-enoic acid

3,7,11-trimethyldodecyl alcohol

6,10-dimethyl-undeca-3,9-dien-2-one

Downstream raw materials:

(6Ξ,10R)-6,10,14-trimethyl-pentadecan-2-one