3-Bromo-5-isopropylbenzoic acid

Base Information

• Chemical Name: 3-Bromo-5-isopropylbenzoic acid
• CAS No.: 112930-39-9
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.09700
• Hs Code.: 2916399090
• European Community (EC) Number: 874-550-2
• DSSTox Substance ID: DTXSID00552079
• Wikidata: Q82432071
• Mol file: 112930-39-9.mol

Synonyms:3-Bromo-5-isopropylbenzoic acid;112930-39-9;3-bromo-5-propan-2-ylbenzoic acid;3-Bromo-5-isopropyl-benzoic acid;MFCD20040502;3-Bromo-5-(propan-2-yl)benzoic acid;3-Bromo-5-isopropylbenzoicacid;Benzoic acid, 3-bromo-5-(1-methylethyl)-;3-bromo 5-isopropyl benzoic acid;SCHEMBL15119369;DTXSID00552079;AMY28204;CL9201;GS2893;AKOS015904602;SB30770;3-Bromo-5-(1-methylethyl)-benzoic acid;AS-46240;SY258876;CS-0061024;EN300-316905;A928757;Z1278925765

Chemical Property of 3-Bromo-5-isopropylbenzoic acid

Chemical Property:

• Boiling Point: 329.5±35.0 °C(Predicted)
• PKA: 3.85±0.10(Predicted)
• PSA: 37.30000
• Density: 1.445±0.06 g/cm3(Predicted)
• LogP: 3.27070
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-5-isopropylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-5-isopropylbenzoic acid

There total 1 articles about 3-Bromo-5-isopropylbenzoic 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:

carbon dioxide (124-38-9,18923-20-1) + C9H10Br2Mg → 3-bromo-5-isopropylbenzoic acid (112930-39-9)

Guidance literature:

With hydrogenchloride; iodine; magnesium; Yield given. Multistep reaction; 1.) ether, reflux, 2.) ether, overnight;

Reference yield: 100.0%

3-bromo-5-isopropylbenzoic acid (112930-39-9) → (3-bromo-5-isopropylphenyl)methanol

Guidance literature:

With borane-THF; In tetrahydrofuran; for 3h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00279

Reference yield:

3-bromo-5-isopropylbenzoic acid (112930-39-9) → 3-bromo-5-isopropylaniline (112930-36-6)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / 5 h / Heating

2: 1.) sodium azide (20percent) / 1.) acetone, from 0 deg C to RT, 10 min, 2.) reflux, 5 h

3: 100 percent / hydrochloric acid (3M) / ethanol / 2 h / Heating

With hydrogenchloride; thionyl chloride; sodium azide; In ethanol;

upstream raw materials:

carbon dioxide

Downstream raw materials:

3-bromo-5-isopropyl-benzoyl chloride

3-bromo-5-isopropylaniline

3-bromo-5-fluorocumene

3-bromo-5-isopropylacetanilide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 112930-39-9 3-Bromo-5-isopropylbenzoic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send