2-Butoxy-5-chlorobenzoic acid

Base Information

• Chemical Name: 2-Butoxy-5-chlorobenzoic acid
• CAS No.: 27830-13-3
• Molecular Formula: C11H13ClO3
• Molecular Weight: 228.675
• DSSTox Substance ID: DTXSID201307675
• Mol file: 27830-13-3.mol

Synonyms:2-butoxy-5-chlorobenzoic acid;27830-13-3;2-butoxy-5-chlorobenzoicacid;SCHEMBL1153890;DTXSID201307675;MFCD02729262;AKOS005171984;VS-04168;CS-0316273

Chemical Property of 2-Butoxy-5-chlorobenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 3.21710
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

98%min ^*data from raw suppliers

2-BUTOXY-5-CHLOROBENZOICACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Butoxy-5-chlorobenzoic acid

There total 2 articles about 2-Butoxy-5-chlorobenzoic 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: 79.0%

C12H15ClO3 (1146547-42-3) → 2-butoxy-5-chlorobenzoic acid (27830-13-3)

Guidance literature:

C₁₂H₁₅ClO₃; With methanol; sodium hydroxide; water; at 20 ℃; for 4h;

With hydrogenchloride; In water; pH=2;

Reference yield:

→ 2-butoxy-5-chlorobenzoic acid (27830-13-3)

Guidance literature:

entsprech. Aethylester, sd. wss. NaOH;

Reference yield: 89.0%

C20H23NO2 + 2-butoxy-5-chlorobenzoic acid (27830-13-3) → C31H34ClNO4

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; dmap; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

C₁₂H₁₅ClO₃

Downstream raw materials:

C₁₉H₂₁BrClNO₂

C₃₃H₄₀ClNO₅

C₃₀H₃₅ClN₂O₅

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