Benzene, 1-dodecyl-4-methyl-

Base Information

• Chemical Name: Benzene, 1-dodecyl-4-methyl-
• CAS No.: 104-41-6
• Molecular Formula: C19H32
• Molecular Weight: 260.463
• Hs Code.: 2902909090
• European Community (EC) Number: 203-200-8
• DSSTox Substance ID: DTXSID0059297
• Nikkaji Number: J91.302B
• Wikidata: Q81988739
• Mol file: 104-41-6.mol

Synonyms:1-dodecyl-4-methylbenzene;p-Dodecyltoluene;Benzene, 1-dodecyl-4-methyl-;104-41-6;EINECS 203-200-8;p-dodecyltoluen;4-Dodecyltoluene;DTXSID0059297

Chemical Property of Benzene, 1-dodecyl-4-methyl-

Chemical Property:

• Vapor Pressure: 9.47E-05mmHg at 25°C
• Boiling Point: 349.5°C at 760 mmHg
• Flash Point: 164.7°C
• PSA: 0.00000
• Density: 0.857g/cm³
• LogP: 6.45840
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 260.250401021
• Heavy Atom Count: 19
• Complexity: 177

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)C

Technology Process of Benzene, 1-dodecyl-4-methyl-

There total 12 articles about Benzene, 1-dodecyl-4-methyl- 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: 80.0%

para-bromotoluene (106-38-7) + 1-dodecylbromide (143-15-7) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 1-dodecyl-4-methylbenzene (104-41-6)

Guidance literature:

With iron(III) chloride; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at 0 ℃; for 8h; Inert atmosphere;

DOI:10.1002/anie.200804434

Reference yield: 77.0%

4-tolyl iodide (624-31-7) + dodecyl 4-methylbenzenesulphonate (10157-76-3) → 1-dodecyl-4-methylbenzene (104-41-6)

Guidance literature:

With [2,2]bipyridinyl; vitamin B₁₂; manganese; chloro-trimethyl-silane; potassium iodide; nickel dibromide; In N,N-dimethyl-formamide; at 30 ℃; for 30h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c7cc01932g

Reference yield: 73.0%

1-dodecylbromide (143-15-7) + para-methylphenylmagnesium bromide (4294-57-9) → 1-dodecyl-4-methylbenzene (104-41-6)

Guidance literature:

With butylmethylimidazolium tetrachloroferrate; In diethyl ether; at 0 - 20 ℃;

DOI:10.1021/ol052965z

upstream raw materials:

1-p-tolyl-dodecan-1-one

n-dodecanoyl chloride

toluene

1-dodecylbromide

Refernces

• 1、 Itoh, Yoshihiro,Yamamoto, Kenji,Shirai, Hirofusa. "Photodegradative surfactants: Photolysis of p-dodecylbenzyltrimethylammonium bromide in aqueous solution". . p. 8 - 9. Retrieved 2003.
• 2、 Xue, Fei,Zhao, Jin,Hor, T. S. Andy. "Iron(II) complexes with functionalized amine-pyrazolyl tripodal ligands in the cross-coupling of aryl Grignard with alkyl halides". experimental part. p. 8935 - 8940. Retrieved 2011/10/19.
• 3、 Czaplik, Waldemar Maximilian,Mayer, Matthias,Jacobi Von Wangelin, Axel. "Direct cobalt-catalyzed cross-coupling between aryl and alkyl halides". experimental part. p. 2931 - 2934. Retrieved 2010/01/21.