4-Isopropylphenyl acetate

Base Information

• Chemical Name: 4-Isopropylphenyl acetate
• CAS No.: 2664-32-6
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• European Community (EC) Number: 220-192-1
• NSC Number: 407857
• DSSTox Substance ID: DTXSID40181180
• Nikkaji Number: J192.177K
• Wikidata: Q72486145
• ChEMBL ID: CHEMBL486945
• Mol file: 2664-32-6.mol

Synonyms:4-Isopropylphenyl acetate;2664-32-6;p-Cumenyl acetate;(4-propan-2-ylphenyl) acetate;AI3-20009;Phenol, 4-(1-methylethyl)-, acetate;EINECS 220-192-1;4-Isopropylphenylacetate;4-Isopropylphenol acetate;4-Isopropylphenyl acetate #;CHEMBL486945;SCHEMBL1714626;DTXSID40181180;CAA66432;NSC407857;AKOS002948054;NSC 407857;NSC-407857;AC-14059;FT-0634432

Chemical Property of 4-Isopropylphenyl acetate

Chemical Property:

• Vapor Pressure: 0.0362mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 241.3 °C at 760 mmHg
• Flash Point: 93.1 °C
• PSA: 26.30000
• Density: 1.006 g/cm³
• LogP: 2.73530
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

4-Isopropylphenylacetate 98% ^*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)OC(=O)C

Technology Process of 4-Isopropylphenyl acetate

There total 8 articles about 4-Isopropylphenyl acetate 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: 95.0%

4-Isopropylphenol (99-89-8) + acetic anhydride (108-24-7) → 4-isopropylphenyl acetate (2664-32-6)

Guidance literature:

With rice husk ash; at 80 ℃; for 0.25h; Green chemistry;

DOI:10.1080/10426507.2013.844142

Reference yield: 91.0%

4-Isopropylphenol (99-89-8) + acetyl chloride (75-36-5) → 4-isopropylphenyl acetate (2664-32-6)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium hydroxide; In dichloromethane; water; at 0 ℃; for 0.0833333h;

DOI:10.1080/00397911.2011.584007

Reference yield: 83.0%

Acetyl bromide (506-96-7) + benzyl 4-(isopropyl)phenyl ether (28530-42-9) → 4-isopropylphenyl acetate (2664-32-6)

Guidance literature:

With lithium bromide; In dichloromethane; at 30 - 35 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jo801659g

upstream raw materials:

4-Isopropylphenol

acetyl chloride

vinyl acetate

4-isopropylacetophenone

Downstream raw materials:

4-acetyloxyacetophenone

benzene-1,4-diyl diacetate

4-Isopropylphenol

3-formyl-6-isopropylchromone

Refernces

• 1、 Hong Nguyen, Thi Anh,Hou, Duen-Ren. "Direct Acetoxylation of Arenes". supporting information. p. 8127 - 8131. Retrieved 2021/08/23.
• 2、 Zhu, Wufu,Chen, Chen,Sun, Chengyu,Xu, Shan,Wu, Chunjiang,Lei, Fei,Xia, Hui,Tu, Qidong,Zheng, Pengwu. "Design, synthesis and docking studies of novel thienopyrimidine derivatives bearing chromone moiety as mTOR/PI3Kα inhibitors". . p. 64 - 73. Retrieved 2015/02/19.