2-Butoxybenzoic acid

Base Information

• Chemical Name: 2-Butoxybenzoic acid
• CAS No.: 2200-81-9
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 805-090-2
• DSSTox Substance ID: DTXSID20566037
• Wikidata: Q82451457
• Mol file: 2200-81-9.mol

Synonyms:2-butoxybenzoic acid;2200-81-9;butoxybenzoic acid;2-butoxybenzoicacid;2-Butoxy-benzoic acid;SCHEMBL301123;DTXSID20566037;UABHETFCVNRGNL-UHFFFAOYSA-N;MFCD00778679;AKOS000103599;VS-03136;CS-0314193;G65502

Chemical Property of 2-Butoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 320.289°C at 760 mmHg
• Flash Point: 122.45°C
• PSA: 46.53000
• Density: 1.107g/cm³
• LogP: 2.56370
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

2-butoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=CC=C1C(=O)O

Technology Process of 2-Butoxybenzoic acid

There total 5 articles about 2-Butoxybenzoic 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: 89.0%

ethyl 2-butoxybenzoate (289894-50-4) → 2-butoxybenzoic acid (2200-81-9)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; for 1h; Heating;

DOI:10.1021/ja031632z

Reference yield:

2-hydroxy-benzoic acid ethyl ester (118-61-6) → 2-butoxybenzoic acid (2200-81-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / K₂CO₃ / dimethylformamide / 3 h / 70 °C

2: 89 percent / aq. NaOH / dioxane / 1 h / Heating

With sodium hydroxide; potassium carbonate; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1021/ja031632z

Reference yield:

methyl 2-n-butoxybenzoate (5446-96-8) → 2-butoxybenzoic acid (2200-81-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01259a062

upstream raw materials:

methyl 2-n-butoxybenzoate

ethyl 2-butoxybenzoate

2-hydroxy-benzoic acid ethyl ester

methyl salicylate

Downstream raw materials:

2-butoxy-benzoic acid-[3-(2-methyl-piperidino)-propylester]; hydrochloride

C₃₈H₆₀N₂O₆

2-butoxy-N-hydroxybenzamide

2-butoxy-N-(3-(morpholine-4-carbonyl)phenyl)benzamide