3-(4-Tert-butylphenyl)-2-methyl-1-propene

Base Information

• Chemical Name: 3-(4-Tert-butylphenyl)-2-methyl-1-propene
• CAS No.: 73566-44-6
• Molecular Formula: C14H20
• Molecular Weight: 188.31
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID90548845
• Wikidata: Q82427681
• Mol file: 73566-44-6.mol

Synonyms:3-(4-TERT-BUTYLPHENYL)-2-METHYL-1-PROPENE;73566-44-6;1-tert-butyl-4-(2-methylprop-2-enyl)benzene;1-tert-Butyl-4-(2-methylprop-2-en-1-yl)benzene;MFCD07774992;DTXSID90548845;AKOS006285385;1-tert-Butyl-4-(2-methylallyl)benzene;1-(Tert-butyl)-4-(2-methylallyl)benzene;CS-0363715

Chemical Property of 3-(4-Tert-butylphenyl)-2-methyl-1-propene

Chemical Property:

• Vapor Pressure: 0.037mmHg at 25°C
• Boiling Point: 249.1°C at 760 mmHg
• Flash Point: 99.3°C
• PSA: 0.00000
• Density: 0.868g/cm³
• LogP: 4.10270
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 188.156500638
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

3-(4-tert-Butylphenyl)-2-methyl-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CC1=CC=C(C=C1)C(C)(C)C

Technology Process of 3-(4-Tert-butylphenyl)-2-methyl-1-propene

There total 3 articles about 3-(4-Tert-butylphenyl)-2-methyl-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: 97.0%

1-(tert-butyl)-4-(2-methylprop-1-en-1-yl)benzene (65977-70-0) → 1-(tert-butyl)-4-(2-methylallyl)benzene (73566-44-6)

Guidance literature:

With methanol; chromium chloride; 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; 4,4'-di-tert-butyl-2,2'-bipyridine; In dichloromethane; at 40 ℃; for 18h; regioselective reaction; Irradiation; Sealed tube; Inert atmosphere;

DOI:10.1021/jacs.1c11681

Reference yield:

4-tert-Butylbenzaldehyde (939-97-9) → 1-(tert-butyl)-4-(2-methylallyl)benzene (73566-44-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butylate / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

1.2: 16 h / 20 °C / Inert atmosphere

2.1: sodium decatungstate; dibromo(dimethylglyoxime)(dimethylglyoximato)cobalt(III) / acetone / 18 h / 20 °C / Irradiation; Inert atmosphere; Sealed tube

With dibromo(dimethylglyoxime)(dimethylglyoximato)cobalt(III); sodium decatungstate; potassium tert-butylate; In tetrahydrofuran; acetone; 1.1: |Wittig Olefination / 1.2: |Wittig Olefination;

DOI:10.1021/jacs.1c12043

Reference yield:

acetamide (60-35-5) → 1-(tert-butyl)-4-(2-methylallyl)benzene (73566-44-6)

Guidance literature:

With sodium acetate; acetic acid; at 180 - 230 ℃;

upstream raw materials:

acetamide

1-(tert-butyl)-4-(2-methylprop-1-en-1-yl)benzene

4-tert-Butylbenzaldehyde