2-(Hexyloxy)benzoic acid

Base Information

• Chemical Name: 2-(Hexyloxy)benzoic acid
• CAS No.: 2200-83-1
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.284
• Hs Code.: 2918990090
• ChEMBL ID: CHEMBL3187680
• DSSTox Substance ID: DTXSID001015191
• Mol file: 2200-83-1.mol

Synonyms:2-(hexyloxy)benzoic acid;2200-83-1;2-hexoxybenzoic acid;2-n-Hexyloxybenzoic acid;hexyloxybenzoic acid;n-Hexylsalicylic acid;2-(hexyloxy)benzoicacid;SCHEMBL112985;CHEMBL3187680;DTXSID001015191;MFCD06203629;AKOS000319514;LS-08296

Chemical Property of 2-(Hexyloxy)benzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 3.34390
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

2-(Hexyloxy)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=CC=C1C(=O)O
• Uses: 2-(Hexyloxy)benzoic Acid is useful for the preparation of imidazopyridines.

Technology Process of 2-(Hexyloxy)benzoic acid

There total 3 articles about 2-(Hexyloxy)benzoic 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:

methyl 2-(hexyloxy)benzoate (56306-81-1) → 2-(hexyloxy)benzoic acid (2200-83-1)

Guidance literature:

With sodium hydroxide; In methanol; for 2h; Yield given; Heating;

DOI:10.1021/jm00062a011

Reference yield:

1-bromo-hexane (111-25-1) → 2-(hexyloxy)benzoic acid (2200-83-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃, KI / acetone / 48 h / Heating

2: NaOH / methanol / 2 h / Heating

With sodium hydroxide; potassium carbonate; potassium iodide; In methanol; acetone;

DOI:10.1021/jm00062a011

Reference yield:

methyl salicylate (119-36-8,8024-54-2) → 2-(hexyloxy)benzoic acid (2200-83-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃, KI / acetone / 48 h / Heating

2: NaOH / methanol / 2 h / Heating

With sodium hydroxide; potassium carbonate; potassium iodide; In methanol; acetone;

DOI:10.1021/jm00062a011

upstream raw materials:

methyl 2-(hexyloxy)benzoate

1-bromo-hexane

methyl salicylate

Downstream raw materials:

hexyloxybenzoyl chloride