2-Bromo-4'-isopropylacetophenone

Base Information

• Chemical Name: 2-Bromo-4'-isopropylacetophenone
• CAS No.: 51012-62-5
• Molecular Formula: C11H13BrO
• Molecular Weight: 241.128
• Hs Code.: 2914700090
• European Community (EC) Number: 819-575-1
• DSSTox Substance ID: DTXSID00554871
• Nikkaji Number: J2.314.029B
• Wikidata: Q82436049
• Mol file: 51012-62-5.mol

Synonyms:51012-62-5;2-BROMO-4'-ISOPROPYLACETOPHENONE;2-bromo-4-isopropylacetophenone;2-bromo-1-(4-propan-2-ylphenyl)ethanone;2-bromo-1-[4-(propan-2-yl)phenyl]ethan-1-one;2-Bromo-1-(4-isopropylphenyl)ethanone;4-isopropylphenacyl bromide;p-isopropylphenacyl bromide;2-Bromo-1-[4-(1-methylethyl)phenyl]ethanone;SCHEMBL182091;DTXSID00554871;ZSCDQVYYLJSTFU-UHFFFAOYSA-N;MFCD09751221;AKOS000210405;2-bromo-1-(4-isopropylphenyl)-ethanone;2-bromo-1-(4-isopropyl-phenyl)-ethanone;SY083946;WS-01869;EN300-67199;E72216;A828395

Chemical Property of 2-Bromo-4'-isopropylacetophenone

Chemical Property:

• Vapor Pressure: 0.00101mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 302.2°C at 760 mmHg
• Flash Point: 56.6°C
• PSA: 17.07000
• Density: 1.308g/cm³
• LogP: 3.38760
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 240.01498
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromo-4’-isopropylacetophenone ^*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)C(=O)CBr

Technology Process of 2-Bromo-4'-isopropylacetophenone

There total 5 articles about 2-Bromo-4'-isopropylacetophenone 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: 99.0%

Isopropylbenzene (98-82-8) + 2-Bromoacetyl bromide (598-21-0) → α-bromomethyl 4-isopropylphenyl ketone (51012-62-5)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at -40 - -10 ℃; for 2.66667h;

Reference yield: 72.0%

4-isopropylstyrene (2055-40-5) → α-bromomethyl 4-isopropylphenyl ketone (51012-62-5)

Guidance literature:

With ferric(III) bromide; oxygen; toluene-4-sulfonic acid; potassium bromide; In tert-butyl methyl ether; at 20 ℃; Irradiation; Green chemistry;

DOI:10.1002/cjoc.201900372

Reference yield: 39.0%

4-isopropylacetophenone (645-13-6) → 2,2-dibromo-1-(4-(isopropyl)phenyl)ethanone + α-bromomethyl 4-isopropylphenyl ketone (51012-62-5)

Guidance literature:

With N-Bromosuccinimide; In neat (no solvent); at 27 ℃; for 21h; regioselective reaction; Irradiation;

DOI:10.1007/s11696-021-01711-x

upstream raw materials:

4-isopropylacetophenone

Isopropylbenzene

2-Bromoacetyl bromide

2-bromoacetyl chloride

Downstream raw materials:

2-benzenesulfonyl-1-(4-isopropyl-phenyl)-ethanone

4-isopropylbenzamide

p-isopropylphenethyl bromide

4-isopropyl-phenethyl chloride

Refernces

• 1、 Eagon, Scott,Hammill, Jared T.,Sigal, Martina,Ahn, Kevin J.,Tryhorn, Julia E.,Koch, Grant,Belanger, Briana,Chaplan, Cory A.,Loop, Lauren,Kashtanova, Anna S.,Yniguez, Kenya,Lazaro, Horacio,Wilkinson, Steven P.,Rice, Amy L.,Falade, Mofolusho O.,Takahashi, Rei,Kim, Katie,Cheung, Ashley,Dibernardo, Celine,Kimball, Joshua J.,Winzeler, Elizabeth A.,Eribez, Korina,Mittal, Nimisha,Gamo, Francisco-Javier,Crespo, Benigno,Churchyard, Alisje,García-Barbazán, Irene,Baum, Jake,Anderson, Marc O.,Laleu, Beno?t,Guy, R. Kiplin. "Synthesis and Structure-Activity Relationship of Dual-Stage Antimalarial Pyrazolo[3,4- b]pyridines". . p. 11902 - 11919. Retrieved 2020/11/26.
• 2、 Luo, Zhibin,Meng, Yunge,Gong, Xinchi,Wu, Jie,Zhang, Yulan,Ye, Long-Wu,Zhu, Chunyin. "Facile Synthesis of α-Haloketones by Aerobic Oxidation of Olefins Using KX as Nonhazardous Halogen Source". supporting information. p. 173 - 177. Retrieved 2020/01/02.