3-Methyldodecane

Base Information

• Chemical Name: 3-Methyldodecane
• CAS No.: 17312-57-1
• Molecular Formula: C₁₃H₂₈
• Molecular Weight: 184.365
• Hs Code.: 2901100000
• UNII: F3L2C5FRG8
• DSSTox Substance ID: DTXSID00873317
• Nikkaji Number: J125.244E
• Wikidata: Q81986692
• Metabolomics Workbench ID: 5091
• Mol file: 17312-57-1.mol

Synonyms:3-METHYLDODECANE;17312-57-1;Dodecane, 3-methyl-;xi-3-Methyldodecane;DODECANE,3-METHYL-;F3L2C5FRG8;UNII-F3L2C5FRG8;DTXSID00873317;GRJUENNHVNYCHD-UHFFFAOYSA-N;LMFA11000393;AKOS006274958

Chemical Property of 3-Methyldodecane

Chemical Property:

• Vapor Pressure: 0.106mmHg at 25°C
• Melting Point: -53°C
• Refractive Index: 1.4249
• Boiling Point: 229.3°Cat760mmHg
• Flash Point: 71.4°C
• PSA: 0.00000
• Density: 0.757g/cm³
• LogP: 5.17320
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 184.219100893
• Heavy Atom Count: 13
• Complexity: 86

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCC(C)CC

Technology Process of 3-Methyldodecane

There total 8 articles about 3-Methyldodecane 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%

3-methyleneundecane (71138-64-2) → 3-methyldodecane (17312-57-1)

Guidance literature:

With indium(III) bromide; cyclohexa-1,4-diene; In 1,2-dichloro-ethane; at 80 ℃; for 20h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.202101259

Reference yield:

1-Bromononane (693-58-3) + s-butylmagnesium chloride (15366-08-2,79722-38-6) → 3-methyldodecane (17312-57-1)

Guidance literature:

With 1-Phenylprop-1-yne; copper dichloride; In tetrahydrofuran; at 25 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo501006u

Reference yield:

n-nonyl fluoride (463-18-3) + s-butylmagnesium chloride (15366-08-2,79722-38-6) → 3-methyldodecane (17312-57-1)

Guidance literature:

s-butylmagnesium chloride; With buta-1,3-diene; copper(l) chloride; In tetrahydrofuran; at 50 ℃; for 0.166667h;

n-nonyl fluoride; In tetrahydrofuran; at 50 ℃; for 24h; regioselective reaction;

DOI:10.1002/anie.201503288

upstream raw materials:

nonylmagnesium bromide

butanone

methyl magnesium iodide

3-dodecanone

Refernces

• 1、 Iwasaki, Takanori,Shimizu, Ryohei,Imanishi, Reiko,Kuniyasu, Hitoshi,Kambe, Nobuaki. "Copper-Catalyzed Regioselective Hydroalkylation of 1,3-Dienes with Alkyl Fluorides and Grignard Reagents". supporting information. p. 9347 - 9350. Retrieved 2015/08/06.
• 2、 Iwasaki, Takanori,Takagawa, Hiroaki,Singh, Surya P.,Kuniyasu, Hitoshi,Kambe, Nobuaki. "Co-catalyzed cross-coupling of alkyl halides with tertiary alkyl Grignard reagents using a 1,3-butadiene additive". supporting information. p. 9604 - 9607. Retrieved 2013/07/26.