5-Bromo-2-propoxybenzoic acid

Base Information

• Chemical Name: 5-Bromo-2-propoxybenzoic acid
• CAS No.: 60783-91-7
• Molecular Formula: C10H11BrO3
• Molecular Weight: 259.1
• DSSTox Substance ID: DTXSID20399246
• Mol file: 60783-91-7.mol

Synonyms:5-bromo-2-propoxybenzoic acid;60783-91-7;5-bromo-2-propoxybenzoicacid;SCHEMBL7371844;DTXSID20399246;BBL014093;MFCD02729207;STK500995;AKOS000319448;VS-04175;BB 0256556;CS-0204388

Chemical Property of 5-Bromo-2-propoxybenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.93610
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.98916
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2-propoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C=C(C=C1)Br)C(=O)O

Technology Process of 5-Bromo-2-propoxybenzoic acid

There total 6 articles about 5-Bromo-2-propoxybenzoic 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: 93.0%

methyl 2-(allyloxy)-5-bromobenzoate (35686-75-0) → 5-bromo-2-propoxy-benzoic acid (60783-91-7)

Guidance literature:

With lithium hydroxide monohydrate; In methanol; water; at 20 ℃; for 3h;

Reference yield:

5-bromosalicyclic acid (89-55-4) + potassium carbonate (584-08-7) + 1-iodo-propane (107-08-4) → 5-bromo-2-propoxy-benzoic acid (60783-91-7)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield:

5-bromosalicyclic acid (89-55-4) → 5-bromo-2-propoxy-benzoic acid (60783-91-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: thionyl chloride / N,N-dimethyl-formamide; dichloromethane / 2 h / 50 °C

1.2: 0.5 h

2.1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 20 °C

3.1: lithium hydroxide monohydrate / methanol; water / 3 h / 20 °C

With thionyl chloride; lithium hydroxide monohydrate; potassium carbonate; In methanol; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

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

1-iodo-propane

5-bromosalicyclic acid

potassium carbonate

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