2-(2-Bromophenyl)propanoic acid

Base Information

• Chemical Name: 2-(2-Bromophenyl)propanoic acid
• CAS No.: 153184-13-5
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• DSSTox Substance ID: DTXSID60566298
• Nikkaji Number: J1.446.725D
• Mol file: 153184-13-5.mol

Synonyms:2-(2-Bromophenyl)propanoic acid;153184-13-5;a-bromophenylpropionic acid;SCHEMBL214223;2-(2-Bromophenyl)propanoicacid;DTXSID60566298;AKOS017554509;BS-27467;G11460;EN300-1912257

Chemical Property of 2-(2-Bromophenyl)propanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.63720
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

95% ^*data from raw suppliers

2-(2-Bromophenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1Br)C(=O)O

Technology Process of 2-(2-Bromophenyl)propanoic acid

There total 12 articles about 2-(2-Bromophenyl)propanoic 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%

ortho-bromophenylacetic acid (18698-97-0) + dimethyl sulfate (77-78-1) → 2-bromo-α-methylbenzeneacetic acid (153184-13-5)

Guidance literature:

ortho-bromophenylacetic acid; dimethyl sulfate; With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at 20 ℃; for 12h;

With sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1016/S0960-894X(00)00561-8

Reference yield: 95.0%

(±)-methyl 2-(2-bromophenyl)propanoate (115615-34-4) → 2-bromo-α-methylbenzeneacetic acid (153184-13-5)

Guidance literature:

(±)-methyl 2-(2-bromophenyl)propanoate; With sodium hydroxide; In ethanol; water; for 1h; Reflux;

With hydrogenchloride; In ethanol; water; pH=2;

DOI:10.1055/s-0030-1260328

Reference yield: 90.0%

2-(2-bromophenyl)propanoic acid ethyl ester (1379367-09-5) → 2-bromo-α-methylbenzeneacetic acid (153184-13-5)

Guidance literature:

With water; potassium hydroxide; In acetone; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/hlca.201500062

upstream raw materials:

ortho-bromophenylacetic acid

methyl iodide

dimethyl sulfate

2-bromophenylacetyl chloride

Downstream raw materials:

α-methyl 2-bromophenylacetyl chloride

C₁₄H₂₀BrNO₂

4,4-dimethyl-2-(2-(2-bromophenyl)propan-2-yl)oxazoline

2-bromo-α,α-dimethylbenzeneacetic acid

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