Benzoic acid, 2-(3-chloropropoxy)-, ethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-(3-chloropropoxy)-, ethyl ester
• CAS No.: 93622-59-4
• Molecular Formula: C12H15ClO3
• Molecular Weight: 242.702
• DSSTox Substance ID: DTXSID20469377
• Wikidata: Q82297061

Synonyms:Benzoic acid, 2-(3-chloropropoxy)-, ethyl ester;93622-59-4;SCHEMBL10459135;DTXSID20469377

Chemical Property of Benzoic acid, 2-(3-chloropropoxy)-, ethyl ester

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 242.0709720
• Heavy Atom Count: 16
• Complexity: 208

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1OCCCCl

Technology Process of Benzoic acid, 2-(3-chloropropoxy)-, ethyl ester

There total 2 articles about Benzoic acid, 2-(3-chloropropoxy)-, ethyl ester 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: 83.0%

ethyl 2-(3-hydroxypropoxy)benzoate (30721-19-8) → ethyl 2-(3-chloropropoxy)benzoate (93622-59-4)

Guidance literature:

With thionyl chloride; In pyridine; benzene; for 17h; Heating;

DOI:10.1246/bcsj.57.1976

Reference yield: 43.0%

1.3-chlorobromopropane (109-70-6) + 2-hydroxy-benzoic acid ethyl ester (118-61-6) → ethyl 2-(3-chloropropoxy)benzoate (93622-59-4)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Heating;

DOI:10.1021/jm00121a022

Reference yield: 32.0%

1,1-bis(4-fluorophenyl)-1-(4-piperidinyl)methanol (60284-98-2) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) + ethyl 2-(3-chloropropoxy)benzoate (93622-59-4) → 2-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-piperidin-1-yl}-propoxy)-benzoic acid ethyl ester; compound with (E)-but-2-enedioic acid (117023-42-4)

Guidance literature:

With sodium carbonate; potassium iodide; 1) DMF, reflux;

DOI:10.1021/jm00121a022

upstream raw materials:

ethyl 2-(3-hydroxypropoxy)benzoate

1.3-chlorobromopropane

2-hydroxy-benzoic acid ethyl ester

Downstream raw materials:

2-<3-(o-ethoxycarbonylphenoxy)propoxy>-4-t-butylphenol

2-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-piperidin-1-yl}-propoxy)-benzoic acid ethyl ester; compound with (E)-but-2-enedioic acid

1-<3-(o-carboxyphenoxy)propoxy>-2-<3-(8-quinolyloxy)propoxy>-4-t-butylbenzene

1-<3-(o-ethoxycarbonylphenoxy)propoxy>-2-(2-hydroxyethoxy)-4-t-butylbenzene

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