3-(4-n-Butylphenyl)-1-propene

Base Information

• Chemical Name: 3-(4-n-Butylphenyl)-1-propene
• CAS No.: 842124-16-7
• Molecular Formula: C₁₃H₁₈
• Molecular Weight: 174.286
• European Community (EC) Number: 675-434-2
• DSSTox Substance ID: DTXSID50373832
• Nikkaji Number: J2.135.337J
• Wikidata: Q82162183
• Mol file: 842124-16-7.mol

Synonyms:3-(4-n-Butylphenyl)-1-propene;842124-16-7;1-Allyl-4-butylbenzene;1-butyl-4-prop-2-enylbenzene;3-(4-(1-Butyl)phenyl)-1-propene;DTXSID50373832;MFCD06201179;1-butyl-4-(prop-2-en-1-yl)benzene;AKOS006346038

Chemical Property of 3-(4-n-Butylphenyl)-1-propene

Chemical Property:

• Vapor Pressure: 0.0507mmHg at 25°C
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 174.140850574
• Heavy Atom Count: 13
• Complexity: 129

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-n-Butylphenyl)-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)CC=C

Technology Process of 3-(4-n-Butylphenyl)-1-propene

There total 15 articles about 3-(4-n-Butylphenyl)-1-propene 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: 78.0%

(allylsulfonyl)benzene (16212-05-8) + 4-butyliodobenzene (20651-67-6) → 1-butylbenzene (104-51-8) + 4,4'-di-(n-butyl)-1,1'-biphenyl (7641-81-8) + 4-allyl-n-butylbenzene (842124-16-7)

Guidance literature:

With indium(III) chloride; indium; N,N-dimethylbutylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 14h;

DOI:10.1002/chem.200601338

Reference yield: 75.0%

allyl iodid (556-56-9) + 4-butyliodobenzene (20651-67-6) → 4-allyl-n-butylbenzene (842124-16-7)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; indium; triphenylphosphine; lithium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1002/asia.201000890

Reference yield: 72.0%

4-n-butylchlorobenzene (15499-27-1) + allyl-trimethyl-silane (762-72-1) → 4-allyl-n-butylbenzene (842124-16-7)

Guidance literature:

With caesium carbonate; In 2,2,2-trifluoroethanol; for 18h; Inert atmosphere; UV-irradiation;

DOI:10.1021/jo4007046

upstream raw materials:

Allyl acetate

4-butyliodobenzene

allyl phenyl ether

allylmethyl sulfide

Refernces

• 1、 Lee, Kooyeon,Kim, Hyunseok,Mo, Juntae,Lee, Phil Ho. "Palladium-catalyzed allyl cross-coupling reactions with in situ generated organoindium reagents". scheme or table. p. 2147 - 2157. Retrieved 2011/10/31.
• 2、 Seomoon, Dong,Lee, Kooyeon,Kim, Hyunseok,Lee, Phil Ho. "Inter- and intramolecular palladium-catalyzed allyl cross-coupling reactions using allylindium generated in situ from allyl acetates, indium, and indium trichloride". . p. 5197 - 5206. Retrieved 2008/02/10.