Butyl 2-butoxy-4-chlorobenzoate

Base Information

• Chemical Name: Butyl 2-butoxy-4-chlorobenzoate
• CAS No.: 112767-59-6
• Molecular Formula: C₁₅H₂₁ClO₃
• Molecular Weight: 284.783
• DSSTox Substance ID: DTXSID20550976
• Wikidata: Q82430476
• Mol file: 112767-59-6.mol

Synonyms:BUTYL 2-BUTOXY-4-CHLOROBENZOATE;112767-59-6;DTXSID20550976

Chemical Property of Butyl 2-butoxy-4-chlorobenzoate

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 284.1179222
• Heavy Atom Count: 19
• Complexity: 258

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C=CC(=C1)Cl)C(=O)OCCCC

Technology Process of Butyl 2-butoxy-4-chlorobenzoate

There total 1 articles about Butyl 2-butoxy-4-chlorobenzoate 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:

1-iodo-butane (542-69-8) + 4-chlorosalicylic acid (5106-98-9) → Butyl 2-butoxy-4-chlorobenzoate (112767-59-6)

Guidance literature:

With potassium carbonate; Yield given. Multistep reaction; 1.) acetone, 2.) reflux, 12 h;

DOI:10.1007/BF01145556

Reference yield: 95.0%

Butyl 2-butoxy-4-chlorobenzoate (112767-59-6) → 2-Butoxy-4-chlorobenzoic acid (112767-60-9)

Guidance literature:

With potassium hydroxide; for 1h; Heating;

DOI:10.1007/BF01145556

Reference yield:

Butyl 2-butoxy-4-chlorobenzoate (112767-59-6) → 2-Butoxy-4-chloro-5-sulfamoylsalicylic acid (112767-61-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 95 percent / 30percent KOH / 1 h / Heating

2: 83 percent / 57percent HNO₃, conc. H₂SO₄ / 2 h

3: 90 percent / H₂ / 10percent Pd/C / aq. NaOH / 20 °C / 836 Torr

With potassium hydroxide; sulfuric acid; hydrogen; nitric acid; palladium on activated charcoal; In sodium hydroxide;

DOI:10.1007/BF01145556

upstream raw materials:

1-iodo-butane

4-chlorosalicylic acid

Downstream raw materials:

2-Butoxy-4-chlorobenzoic acid

2-Butoxy-4,5-dichlorobenzoic acid

2-Butoxy-4-chloro-5-aminobenzoic acid

Ethyl 2-butoxy-4-chloro-aminobenzoate