Ethyl 4-(3-bromopropoxy)benzoate

Base Information

• Chemical Name: Ethyl 4-(3-bromopropoxy)benzoate
• CAS No.: 74226-00-9
• Molecular Formula: C12H15BrO3
• Molecular Weight: 287.153
• DSSTox Substance ID: DTXSID10399452
• Wikidata: Q82202037
• Mol file: 74226-00-9.mol

Synonyms:Ethyl 4-(3-bromopropoxy)benzoate;74226-00-9;Benzoic acid, 4-(3-bromopropoxy)-, ethyl ester;SCHEMBL9794827;DTXSID10399452;AKOS014351394;A1-05374

Chemical Property of Ethyl 4-(3-bromopropoxy)benzoate

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 286.02046
• Heavy Atom Count: 16
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)OCCCBr

Technology Process of Ethyl 4-(3-bromopropoxy)benzoate

There total 1 articles about Ethyl 4-(3-bromopropoxy)benzoate 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: 40.0%

Ethyl 4-hydroxybenzoate (120-47-8) + 1,3-dibromo-propane (109-64-8) → ethyl 4-(3-bromopropoxy)benzoate (74226-00-9)

Guidance literature:

With potassium carbonate; In butanone; for 72h; Heating;

DOI:10.1021/jm00148a009

Reference yield: 23.0%

ethyl 4-(3-bromopropoxy)benzoate (74226-00-9) + ethyl 3-dodecanoylindole-2-carboxylate (203111-21-1) → 1-[3-(4-carboxyphenoxy)propyl]-3-dodecanoylindole-2-carboxylic acid

Guidance literature:

ethyl 3-dodecanoylindole-2-carboxylate; With potassium tert-butylate; In dimethyl sulfoxide; at 110 - 120 ℃;

ethyl 4-(3-bromopropoxy)benzoate; In dimethyl sulfoxide; at 110 - 120 ℃;

With potassium hydroxide; In ethanol; Heating;

DOI:10.1002/ardp.200290008

Reference yield:

ethyl 4-(3-bromopropoxy)benzoate (74226-00-9) → ethyl 4-((5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentyl)oxy)benzoate

Guidance literature:

Multi-step reaction with 2 steps

1: sodium iodide / acetone / Reflux; Inert atmosphere

2: cesium fluoride / N,N-dimethyl-formamide / 8 h / 20 °C / Inert atmosphere; Glovebox; Sealed tube

With cesium fluoride; sodium iodide; In N,N-dimethyl-formamide; acetone;

DOI:10.1002/anie.202113727

upstream raw materials:

Ethyl 4-hydroxybenzoate

1,3-dibromo-propane

Downstream raw materials:

ethyl 4-<(4-cyano-5-ethoxy-5-oxopentyl)oxy>benzoate

4-<3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propoxy>benzoic acid

4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-propoxy]-benzoic acid ethyl ester

diethyl N-<4-<3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propoxy>benzoyl>-L-glutamate