2-(4-Bromophenyl)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(4-Bromophenyl)-2-methylpropanoic acid
• CAS No.: 32454-35-6
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.1
• Hs Code.: 2916399090
• European Community (EC) Number: 696-555-7
• DSSTox Substance ID: DTXSID70448899
• Wikidata: Q72511028
• Mol file: 32454-35-6.mol

Synonyms:2-(4-bromophenyl)-2-methylpropanoic acid;32454-35-6;2-(4-Bromophenyl)-2-methylpropionic acid;2-(4-Bromophenyl)-2,2'-dimethylacetic Acid;MFCD02684220;EC 696-555-7;2-(4-bromophenyl)-2-methyl-propanoic Acid;2-Methyl-2-(P-Bromophenyl)Propionic Acid;SCHEMBL897098;DTXSID70448899;AKVOQXBQLXOEEF-UHFFFAOYSA-N;Dimethyl(p-bromophenyl)acetic Acid;BCP14118;CS-M1477;AKOS009358276;AC-27641;AM803697;SY021456;TS-03377;2-(4-bromophenyl)-2-methyl propionic acid;2-(4-bromo-phenyl)-2-methyl-propionic acid;2-(4-bromophenyl)-2,2-dimethylacetic acid;B6202;FT-0608593;EN300-41063;A821280;J-509916;2-(4-bromophenyl)-2-methylpropionic acid, AldrichCPR;Z415660212

Chemical Property of 2-(4-Bromophenyl)-2-methylpropanoic acid

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 122-124 °C
• Refractive Index: 1.559
• Boiling Point: 334.239 °C at 760 mmHg
• PKA: 4.26±0.10(Predicted)
• Flash Point: 155.942 °C
• PSA: 37.30000
• Density: 1.456 g/cm³
• LogP: 2.81130
• Storage Temp.: Room temperature.
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99.9% ^*data from raw suppliers

2-(4-Bromophenyl)-2,2’-dimethylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)Br)C(=O)O

Technology Process of 2-(4-Bromophenyl)-2-methylpropanoic acid

There total 12 articles about 2-(4-Bromophenyl)-2-methylpropanoic acid 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: 100.0%

2-(4-bromophenyl)-2-methylpropanenitrile (101184-73-0) → 2-(4-bromophenyl)-2-methylpropionic acid (32454-35-6)

Guidance literature:

With water; sodium hydroxide; In methanol; at 80 ℃; for 12h;

DOI:10.1021/acs.orglett.1c02460

Reference yield: 99.0%

1-bromo-4-(2-isocyanopropan-2-yl)benzene → 2-(4-bromophenyl)-2-methylpropionic acid (32454-35-6)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 100 ℃; for 16h;

Reference yield: 94.0%

methyl 2-(4-bromophenyl)-2,2-dimethylacetate (154825-97-5) → 2-(4-bromophenyl)-2-methylpropionic acid (32454-35-6)

Guidance literature:

methyl 2-(4-bromophenyl)-2,2-dimethylacetate; With water; lithium hydroxide; In 1,4-dioxane; at 50 ℃; for 5.5h;

With hydrogenchloride; In 1,4-dioxane; water;

upstream raw materials:

2-methyl-2-phenylpropionic acid

Ethyl 4-bromophenylacetate

methyl iodide

2-(4-bromophenyl)-2-methylpropanenitrile

Downstream raw materials:

fexofenadine methyl ester

fexofenadine

methyl 2-(4-bromophenyl)-2,2-dimethylacetate

6-(4-(1-hydroxy-2-methylpropan-2-yl)phenyl)nicotinonitrile

Refernces

• 1、 Hajipour, Abdol R.,Khorsandi, Zahra. "Cobalt-catalyzed C[sbnd]H activation/C[sbnd]O formation: Synthesis of benzofuranones". . . Retrieved 2019/11/26.
• 2、 Kommera, Rajashekar,Yerrabelly, Jayaprakash Rao,Kasireddy, Venkateshwarreddy,Ghojala, Venkat Reddy,Singavarapu, Adilakshmi,Rebelli, Pradeep. "A new and competitive synthetic approach for an antihistamine agent, bilastine". . p. 815 - 821. Retrieved 2018/11/06.