Ethyl 4-isopropylphenylacetate

Base Information

• Chemical Name: Ethyl 4-isopropylphenylacetate
• CAS No.: 14062-21-6
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.285
• Hs Code.: 2916399090
• European Community (EC) Number: 237-905-7
• DSSTox Substance ID: DTXSID80161446
• Nikkaji Number: J184.022C
• Wikidata: Q83029851
• Mol file: 14062-21-6.mol

Synonyms:Ethyl 4-isopropylphenylacetate;14062-21-6;ethyl 2-(4-propan-2-ylphenyl)acetate;EINECS 237-905-7;ethyl 2-[4-(propan-2-yl)phenyl]acetate;(4-Isopropylphenyl)acetic acid ethyl ester;Benzeneacetic acid, 4-(1-methylethyl)-, ethyl ester;SCHEMBL20759997;DTXSID80161446;Cycloheptanone, 2-(1-methylethyl)-;MFCD11111875;AKOS012096154;(p-Isopropylphenyl)acetic acid ethyl ester

Chemical Property of Ethyl 4-isopropylphenylacetate

Chemical Property:

• Vapor Pressure: 0.00533mmHg at 25°C
• Boiling Point: 274.7°Cat760mmHg
• Flash Point: 103.1°C
• PSA: 26.30000
• Density: 0.987g/cm³
• LogP: 2.91560
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-isopropylphenylacetate

There total 11 articles about Ethyl 4-isopropylphenylacetate 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: 98.0%

4-Isopropylphenol (99-89-8) + ethyl bromoacetate (105-36-2) → (4-isopropylphenyl)acetic acid ethyl ester (14062-21-6)

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 48h;

Reference yield: 93.0%

ethanol (64-17-5) + (4-isopropylphenyl)acetic acid (4476-28-2) → (4-isopropylphenyl)acetic acid ethyl ester (14062-21-6)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/j.bmc.2006.12.029

Reference yield:

(4-isopropylphenyl)acetonitrile (4395-87-3) → (4-isopropylphenyl)acetic acid ethyl ester (14062-21-6)

Guidance literature:

With hydrogenchloride; ethanol;

upstream raw materials:

(4-isopropylphenyl)acetonitrile

ethanol

1-Isopropyl-4-((Z)-2-methanesulfinyl-2-methylsulfanyl-vinyl)-benzene

(4-isopropylphenyl)acetic acid

Downstream raw materials:

2,4-bis-(4-isopropyl-phenyl)-acetoacetic acid ethyl ester

2-(4-isopropylphenyl)ethanol

2-(4-isopropylphenyl)malonic acid diethyl ester

2-(4-isopropylphenoxy)acetic acid

Refernces

• 1、 Matulenko, Mark A.,Paight, Ernest S.,Frey, Robin R.,Gomtsyan, Arthur,DiDomenico Jr., Stanley,Jiang, Meiqun,Lee, Chih-Hung,Stewart, Andrew O.,Yu, Haixia,Kohlhaas, Kathy L.,Alexander, Karen M.,McGaraughty, Steve,Mikusa, Joseph,Marsh, Kennan C.,Muchmore, Steven W.,Jakob, Clarissa L.,Kowaluk, Elizabeth A.,Jarvis, Michael F.,Bhagwat, Shripad S.. "4-Amino-5-aryl-6-arylethynylpyrimidines: Structure-activity relationships of non-nucleoside adenosine kinase inhibitors". . p. 1586 - 1605. Retrieved 2008/02/01.