4-(3-chloropropoxy)benzoic Acid

Base Information

• Chemical Name: 4-(3-chloropropoxy)benzoic Acid
• CAS No.: 65136-52-9
• Molecular Formula: C10H11ClO3
• Molecular Weight: 214.649
• Hs Code.: 2918990090
• Mol file: 65136-52-9.mol

Synonyms:4-(3-chloropropoxy)benzoic Acid;4-chloropropoxybenzoic acid;SCHEMBL177170;KSMVTYHRIQLEHS-UHFFFAOYSA-N;AKOS022651589;EN300-8741213

Chemical Property of 4-(3-chloropropoxy)benzoic Acid

Chemical Property:

• Melting Point: 157 °C(Solv: isopropanol (67-63-0))
• Boiling Point: 368.1±17.0 °C(Predicted)
• PKA: 4.45±0.10(Predicted)
• PSA: 46.53000
• Density: 1.259±0.06 g/cm3(Predicted)
• LogP: 2.82700
• Storage Temp.: Room temperature.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 214.0396719
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

≥95% ^*data from raw suppliers

4-Chloro-3-propoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)OCCCCl

Technology Process of 4-(3-chloropropoxy)benzoic Acid

There total 9 articles about 4-(3-chloropropoxy)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: 94.0%

Ethyl 4-hydroxybenzoate (120-47-8) + 1.3-chlorobromopropane (109-70-6) → 4-(3-chloropropoxy)benzoic acid (65136-52-9)

Guidance literature:

Ethyl 4-hydroxybenzoate; 1.3-chlorobromopropane; With potassium carbonate; In acetonitrile; for 12h; Reflux;

With methanol; sodium hydroxide; for 1h; Reflux;

Reference yield: 87.0%

4-(3-chloropropoxy)benzoic acid ethyl ester (75912-94-6) → 4-(3-chloropropoxy)benzoic acid (65136-52-9)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 3h; Reflux;

DOI:10.1016/j.ejmech.2019.05.080

Reference yield: 75.0%

carbon dioxide (124-38-9,18923-20-1) + C11H16ClOS(1+)*CF3O3S(1-) → 4-(3-chloropropoxy)benzoic acid (65136-52-9)

Guidance literature:

With 2.9-dimethyl-1,10-phenanthroline; neocuproine; zinc; In dimethyl sulfoxide; at 20 ℃; for 16h; under 760.051 Torr;

DOI:10.1021/acscatal.9b05141

upstream raw materials:

4-(3-chloropropoxy)benzoic acid methyl ester

1.3-chlorobromopropane

4-hydroxy-benzoic acid

methyl 4-hydroxylbenzoate

Downstream raw materials:

N-{5-[4-(3-chloropropoxy)benzamido]-2-methylphenyl}-3,4-dimethoxybenzamide

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