4-Isopropylphenylacetylchloride

Base Information

• Chemical Name: 4-Isopropylphenylacetylchloride
• CAS No.: 52629-44-4
• Molecular Formula: C11H13ClO
• Molecular Weight: 196.677
• Hs Code.: 2916399090
• Mol file: 52629-44-4.mol

Synonyms:Benzeneacetyl chloride,4-(1-methylethyl);F2146-0481;2-(4-isopropylphenyl)acetyl chloride;4-ISOPROPYLPHENYLACETYLCHLORIDE;

Chemical Property of 4-Isopropylphenylacetylchloride

Chemical Property:

• PSA: 17.07000
• LogP: 3.11790

Purity/Quality:

4-IsopropylphenylacetylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Isopropylphenylacetylchloride

There total 2 articles about 4-Isopropylphenylacetylchloride 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:

(4-isopropylphenyl)acetic acid (4476-28-2) → 4-(1-methylethyl)-benzeneacetyl chloride (52629-44-4)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01182a020

Reference yield:

methyl 2-(4-isopropylphenyl)acetate (16216-94-7) → 4-(1-methylethyl)-benzeneacetyl chloride (52629-44-4)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium hydroxide monohydrate; water / tetrahydrofuran / 3 h / 70 °C

2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 3 h / 0 - 20 °C

With thionyl chloride; lithium hydroxide monohydrate; water; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/acs.orglett.0c03801

Reference yield: 41.0%

4-(1-methylethyl)-benzeneacetyl chloride (52629-44-4) + C16H17N5O → C27H29N5O2

Guidance literature:

With triethylamine; In dichloromethane; at 5 ℃; for 15h;

upstream raw materials:

(4-isopropylphenyl)acetic acid

methyl 2-(4-isopropylphenyl)acetate

Downstream raw materials:

4-(4-isopropyl-phenyl)-acetoacetic acid ethyl ester

1-chloro-4-isopropylbenzene

1-(4-methoxyphenyl)-2-[4-(propan-2-yl )phenyl]ethan-1-one

4'-Chlor-4-isopropyldeoxybenzoin

Refernces

• 1、 Bezen?on, Olivier,Heidmann, Bibia,Siegrist, Romain,Stamm, Simon,Richard, Sylvia,Pozzi, Davide,Corminboeuf, Olivier,Roch, Catherine,Kessler, Melanie,Ertel, Eric A.,Reymond, Isabelle,Pfeifer, Thomas,De Kanter, Ruben,Toeroek-Schafroth, Michael,Moccia, Luca G.,Mawet, Jacques,Moon, Richard,Rey, Markus,Capeleto, Bruno,Fournier, Elvire. "Discovery of a Potent, Selective T-type Calcium Channel Blocker as a Drug Candidate for the Treatment of Generalized Epilepsies". supporting information. p. 9769 - 9789. Retrieved 2017/12/26.
• 2、 Guan, Yong,Ding, Zhensheng,Wulff, William D.. "Vaulted biaryls in catalysis: A structure-activity relationship guided tour of the immanent domain of the VANOL ligand". supporting information. p. 15565 - 15571. Retrieved 2013/11/19.