5-Bromo-2-isopropoxybenzoic acid

Base Information

• Chemical Name: 5-Bromo-2-isopropoxybenzoic acid
• CAS No.: 62176-16-3
• Molecular Formula: C10H11BrO3
• Molecular Weight: 259.09700
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40402241
• Wikidata: Q82205620
• Mol file: 62176-16-3.mol

Synonyms:5-bromo-2-isopropoxybenzoic acid;62176-16-3;5-bromo-2-propan-2-yloxybenzoic acid;5-bromo-2-(propan-2-yloxy)benzoic acid;5-bromo-2-isopropoxybenzoicacid;DTXSID40402241;BBL014333;MFCD02729208;STK501101;AKOS000319475;VS-04279;CS-0204675

Chemical Property of 5-Bromo-2-isopropoxybenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.93450
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 257.98916
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-isopropoxybenzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C=C1)Br)C(=O)O

Technology Process of 5-Bromo-2-isopropoxybenzoic acid

There total 3 articles about 5-Bromo-2-isopropoxybenzoic 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:

5-bromo-2-hydroxy-benzoic acid methyl ester (4068-76-2) + isopropyl bromide (75-26-3) → 5-bromo-2-isopropoxy-benzoic acid (62176-16-3)

Guidance literature:

With sodium methylate; Erhitzen des Reaktionsprodukts mit wss. NaOH;

Reference yield:

5-bromo-2-isopropoxy-benzoic acid methyl ester (860695-50-7) → 5-bromo-2-isopropoxy-benzoic acid (62176-16-3)

Guidance literature:

durch Verseifen;

DOI:10.1359/jbmr.2002.17.6.1044

Reference yield:

→ 5-bromo-2-isopropoxy-benzoic acid (62176-16-3)

Guidance literature:

Ethylester d. 5-Brom-salicylsaeure, 1) Isopropylhalogenid, 2) Verseif.;

upstream raw materials:

5-bromo-2-isopropoxy-benzoic acid methyl ester

5-bromo-2-hydroxy-benzoic acid methyl ester

isopropyl bromide

Downstream raw materials:

5-bromo-2-isopropoxy-benzoyl chloride