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

Base Information

• Chemical Name: 3-(4-tert-Butylphenyl)-1-propene
• CAS No.: 27798-45-4
• Molecular Formula: C13H18
• Molecular Weight: 174.286
• Hs Code.: 2902909090
• European Community (EC) Number: 675-440-5
• DSSTox Substance ID: DTXSID10373833
• Nikkaji Number: J895.392I
• Wikidata: Q82162184
• Mol file: 27798-45-4.mol

Synonyms:3-(4-tert-Butylphenyl)-1-propene;27798-45-4;1-tert-butyl-4-prop-2-enylbenzene;1-Allyl-4-tert-butylbenzene;1-Allyl-4-(tert-butyl)benzene;1-tert-butyl-4-(prop-2-en-1-yl)benzene;1-allyl-4-t-butylbenzene;DTXSID10373833;ZCCJDSYKFPGANQ-UHFFFAOYSA-N;CBA79845;MFCD01070803;AKOS003596768;CS-0267263;FT-0690961;1-(1,1-dimethylethyl)-4-(2-propenyl)benzene;EN300-698374

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

Chemical Property:

• Vapor Pressure: 0.103mmHg at 25°C
• Boiling Point: 105oC 10,5mm
• Flash Point: 86.7oC
• PSA: 0.00000
• Density: 0.869g/cm3
• LogP: 3.71260
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 174.140850574
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 29 articles about 3-(4-tert-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: 91.0%

1-bromo-4-tert-butylbenzene (3972-65-4) + allyltributylstanane (24850-33-7) → 1-allyl-4-(tert-butyl)benzene (27798-45-4)

Guidance literature:

With cesium fluoride; palladium diacetate; In 1,4-dioxane; at 100 ℃; for 4h;

DOI:10.1055/s-2004-836023

Reference yield: 89.0%

(4-tert-butylphenyl)diazonium tetrafluoroborate (52436-75-6) + acetonitrile (75-05-8,26809-02-9) + allyl-trimethyl-silane (762-72-1) → 1-allyl-4-(tert-butyl)benzene (27798-45-4) + 4-tert-butylacetanilide (20330-45-4)

Guidance literature:

Irradiation;

DOI:10.1039/b210243a

Reference yield: 84.0%

p-tert-butylphenylboronic acid (123324-71-0) + allyl bromide (106-95-6) → 1-allyl-4-(tert-butyl)benzene (27798-45-4)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; In toluene; at 110 ℃; for 15h; Inert atmosphere;

DOI:10.1002/ejoc.200900234

upstream raw materials:

1-bromo-4-tert-butylbenzene

allyl bromide

tert-butylbenzene

allyl-trimethyl-silane

Downstream raw materials:

(E)-3-(4-tert-butylphenyl)acrylic acid n-butyl ester

2-(4-tert-butylphenyl)butyraldehyde

3-(4-tert-butylphenyl)propionaldehyde

lilial

Refernces

• 1、 Guo, Yunlong,Shen, Zengming. "Palladium-catalyzed allylic C-H oxidation under simple operation and mild conditions". supporting information. p. 3103 - 3107. Retrieved 2019/03/26.
• 2、 Wu, Fu-Peng,Li, Da,Peng, Jin-Bao,Wu, Xiao-Feng. "Carbonylative Transformation of Allylarenes with CO Surrogates: Tunable Synthesis of 4-Arylbutanoic Acids, 2-Arylbutanoic Acids, and 4-Arylbutanals". supporting information. p. 5699 - 5703. Retrieved 2019/08/01.