3-(4-Isopropylphenyl)-1-propene

Base Information

• Chemical Name: 3-(4-Isopropylphenyl)-1-propene
• CAS No.: 4395-92-0
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2912299000
• DSSTox Substance ID: DTXSID2052102
• Nikkaji Number: J3.237.316J
• Mol file: 4395-92-0.mol

Synonyms:3-(4-ISOPROPYLPHENYL)-1-PROPENE;3897-64-1;1-propan-2-yl-4-prop-2-enylbenzene;1-allyl-4-isopropylbenzene;MFCD01070804;p-allylcumene;1-Isopropyl-4-allylbenzene;DTXSID2052102;QBLYEXXCHLBGNO-UHFFFAOYSA-N;AKOS003596769;1-(prop-2-en-1-yl)-4-(propan-2-yl)benzene

Chemical Property of 3-(4-Isopropylphenyl)-1-propene

Chemical Property:

• Vapor Pressure: 0.0265mmHg at 25°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 246.9°C at 760 mmHg
• Flash Point: 112.3°C
• PSA: 17.07000
• Density: 0.956g/cm³
• LogP: 2.55140
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

(4-Isopropylphenyl)acetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)CC=C
• Description: p-Isopropylphenylacetaldehyde has a characteristic bark odor and a citrus, bittersweet, fruity flavor. May be synthesized from cumyl magnesium chloride and ethyl formate or triethyl s-formate followed by acid hydrolysis of the acetal.

Technology Process of 3-(4-Isopropylphenyl)-1-propene

There total 6 articles about 3-(4-Isopropylphenyl)-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:

formic acid (64-18-6) + (4-isopropylbenzaldehyde) (122-03-2) → 2-[4-(1-methylethyl)phenyl]-ethanal (4395-92-0)

Guidance literature:

(4-isopropylbenzaldehyde); With potassium tert-butylate; (methoxymethyl)triphenylphosphonium chloride; In tetrahydrofuran; at 0 - 20 ℃; for 12h;

formic acid; With hydrogenchloride; In dichloromethane; water; for 12h; Reflux;

DOI:10.1002/anie.201301015

Reference yield:

→ 2-[4-(1-methylethyl)phenyl]-ethanal (4395-92-0)

Guidance literature:

With potassium permanganate; at 20 ℃;

Reference yield:

orthoformic acid triethyl ester (122-51-0) → 2-[4-(1-methylethyl)phenyl]-ethanal (4395-92-0)

Guidance literature:

With toluene; Kochen des erhaltenen Acetals mit Salzsaeure;

upstream raw materials:

trans-ethyl 3-(4-isopropylphenyl)oxirane-2-carboxylate

orthoformic acid triethyl ester

formic acid

(4-isopropylbenzaldehyde)

Downstream raw materials:

1-isopropyl-4-prop-2-ynyl-benzene

6-chloro-3-(4-isopropyl-benzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1λ⁶-benzo[1,2,4]thiadiazine-7-sulfonic acid amide

2-(4-isopropylphenyl)ethanol

Refernces

• 1、 -. "Functional fragrance precursor". . . Retrieved 2008/06/13.