4-(2-Methylphenyl)-1-butene

Base Information

• Chemical Name: 4-(2-Methylphenyl)-1-butene
• CAS No.: 45892-60-2
• Molecular Formula: C11H14
• Molecular Weight: 146.232
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID70593176
• Nikkaji Number: J1.335.597E
• Wikidata: Q82487607
• Mol file: 45892-60-2.mol

Synonyms:4-(2-Methylphenyl)-1-butene;45892-60-2;1-but-3-enyl-2-methylbenzene;1-(but-3-en-1-yl)-2-methylbenzene;MFCD01319549;4-(2-Methylphenyl)but-1-ene;Methylenpropyltoluol;2-(But-3-en-1-yl)toluene;DTXSID70593176;AKOS016016722

Chemical Property of 4-(2-Methylphenyl)-1-butene

Chemical Property:

• Vapor Pressure: 0.402mmHg at 25°C
• Boiling Point: 203.1oC at 760 mmHg
• Flash Point: 69.2oC
• PSA: 0.00000
• Density: 0.877g/cm3
• LogP: 3.11360
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 146.109550447
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Methylphenyl)-1-butene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CCC=C

Technology Process of 4-(2-Methylphenyl)-1-butene

There total 16 articles about 4-(2-Methylphenyl)-1-butene 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: 94.0%

2-methylbenzyl bromide (89-92-9) + allylmagnesium bromide (1730-25-2) → 1-(but-3-en-1-yl)-2-methylbenzene (45892-60-2)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1021/acs.orglett.5b00376

Reference yield: 70.0%

1-(4-methoxybut-3-en-1-yl)-2-methylbenzene → 1-(but-3-en-1-yl)-2-methylbenzene (45892-60-2)

Guidance literature:

With 1-hexene; lithium perchlorate; titanium(IV) oxide; In nitromethane; at 20 ℃; for 0.5h; UV-irradiation;

DOI:10.1021/acs.orglett.9b02808

Reference yield: 68.0%

1,2-bis(dibromomethyl)benzene (13209-15-9) + allylmagnesium bromide (1730-25-2) → 1-(but-3-en-1-yl)-2-methylbenzene (45892-60-2)

Guidance literature:

allylmagnesium bromide; With manganese(ll) chloride; In tetrahydrofuran;

1,2-bis(dibromomethyl)benzene; In tetrahydrofuran; at 0 ℃; for 2.5h;

With water;

DOI:10.1246/bcsj.73.2139

upstream raw materials:

4-(2-methylphenyl)butanoic acid

trans-5-methyl-1,5,9-decatriene

2-methylbenzyl bromide

allylmagnesium bromide

Downstream raw materials:

2-butyltoluene

(E)-4-(2-methylphenyl)but-3-en-2-one

4-(2-methylphenyl)butan-2-one

Refernces

• 1、 Guo, Xuefeng,Lin, Honghong,Muzzio, Michelle,Pang, Huan,Shen, Mengqi,Sun, Shouheng,Wei, Kecheng,Williard, Paul,Yin, Zhouyang,Yu, Chao. "CuPd Nanoparticles as a Robust Catalyst for Electrochemical Allylic Alkylation". supporting information. p. 15933 - 15936. Retrieved 2020/07/04.
• 2、 Maeta, Naoya,Kamiya, Hidehiro,Okada, Yohei. "Probing Intramolecular Electron Transfer in Redox Tag Processes". supporting information. p. 8519 - 8522. Retrieved 2019/11/20.