p-Dodecylbenzyl chloride

Base Information

• Chemical Name: p-Dodecylbenzyl chloride
• CAS No.: 104-37-0
• Molecular Formula: C19H31 Cl
• Molecular Weight: 294.908
• UNII: 2YWB85O81H
• DSSTox Substance ID: DTXSID90950782
• Nikkaji Number: J91.411H
• Wikidata: Q27255806
• Mol file: 104-37-0.mol

Synonyms:p-Dodecylbenzyl chloride;1-(Chloromethyl)-4-dodecylbenzene;104-37-0;4-Dodecylbenzyl chloride;2YWB85O81H;Benzene, 1-(chloromethyl)-4-dodecyl-;UNII-2YWB85O81H;Dodecane, 1-(alpha-chloro-p-tolyl)-;SCHEMBL8973387;DTXSID90950782;dodecylbenzyl chloride, AldrichCPR;MFCD00045270;AKOS032954456;LS-11512;DODECANE, 1-(.ALPHA.-CHLORO-P-TOLYL)-;Q27255806

Chemical Property of p-Dodecylbenzyl chloride

Chemical Property:

• PSA: 0.00000
• LogP: 6.88880
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 12
• Exact Mass: 294.2114287
• Heavy Atom Count: 20
• Complexity: 194

Purity/Quality:

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

1-(Chloromethyl)-4-dodecylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-Dodecylbenzyl chloride

There total 7 articles about p-Dodecylbenzyl chloride 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: 83.0%

p-(n-dodecyl)benzyl alcohol (5519-35-7) → 4-dodecylbenzyl chloride (104-37-0)

Guidance literature:

With thionyl chloride; In benzene; for 2.5h; Heating;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-dodecylbenzene (123-01-3) → 4-dodecylbenzyl chloride (104-37-0)

Guidance literature:

With sulfuric acid; phosphorus trichloride; In methanol;

DOI:10.1002/hlca.19650480734

Reference yield:

bromoundecane (693-67-4) → 4-dodecylbenzyl chloride (104-37-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) LDA / 1.) THF, hexane, RT, 30 min, 2.) THF, hexane, RT, 4 h

2: 93 percent / lithum aluminium hydride / diethyl ether

3: 83 percent / thionyl chloride / benzene / 2.5 h / Heating

With lithium aluminium tetrahydride; thionyl chloride; lithium diisopropyl amide; In diethyl ether; benzene;

upstream raw materials:

1-dodecylbenzene

chloromethyl methyl ether

formaldehyd

p-(n-dodecyl)benzyl alcohol

Downstream raw materials:

Dodecylbenzyltrimethylammonium chloride

(2R,4R) diethyl-4-(tert-butyloxycarbonylamino)-1-(4-dodecylbenzyl)pyrrolidine-2,4-dicarboxylate

4-p-dodecylbenzyloxy-6-methylquinoline-2-carboxylic acid

N-(p-Decyloxy-benzyloxy-carbonyl)-Ala-p-dodecylbenzylester

Refernces

• 1、 Chernyavskaya, M. A.,Stefanovich, V. V.,Sergeeva, I. A.,Belova, A. S.. "ANTIMICROBIAL AND SURFACE-ACTIVE PROPERTIES OF CATIONIC SURFACTANTS BASED ON CHLOROALKANES AND ALKYLBENZENES". . p. 784 - 787. Retrieved 2007/10/02.