Ethyl 3-[4-(bromomethyl)phenyl]propanoate

Base Information

• Chemical Name: Ethyl 3-[4-(bromomethyl)phenyl]propanoate
• CAS No.: 56703-35-6
• Molecular Formula: C12H15BrO2
• Molecular Weight: 271.154
• DSSTox Substance ID: DTXSID70707317
• Wikidata: Q82641060
• Mol file: 56703-35-6.mol

Synonyms:ethyl 3-[4-(bromomethyl)phenyl]propanoate;56703-35-6;SCHEMBL4887611;DTXSID70707317;HFMNGULPSOGRFM-UHFFFAOYSA-N

Chemical Property of Ethyl 3-[4-(bromomethyl)phenyl]propanoate

Chemical Property:

• Boiling Point: 324.1±22.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.324±0.06 g/cm3(Predicted)
• LogP: 3.07720
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 270.02554
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC=C(C=C1)CBr

Technology Process of Ethyl 3-[4-(bromomethyl)phenyl]propanoate

There total 9 articles about Ethyl 3-[4-(bromomethyl)phenyl]propanoate 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: 27.0%

ethyl 3-[4-(hydroxymethyl)phenyl]propanoate (107859-98-3) → ethyl 3-[4-(bromomethyl)phenyl]propanoate (56703-35-6)

Guidance literature:

With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 0 - 20 ℃;

Reference yield: 15.0%

ethyl 3-(4-methylphenyl)propanoate (7116-41-8) → ethyl 3-[4-(bromomethyl)phenyl]propanoate (56703-35-6)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In chloroform; for 1h; Inert atmosphere; Reflux;

DOI:10.1021/acsmedchemlett.8b00551

Reference yield:

3-[4-(hydroxymethyl)phenyl]propanoic acid (56703-34-5) + phosphorus tribromide (7789-60-8) → ethyl 3-[4-(bromomethyl)phenyl]propanoate (56703-35-6)

Guidance literature:

In ethanol; chloroform;

upstream raw materials:

ethanol

3-[4-(hydroxymethyl)phenyl]propanoic acid

phosphorus tribromide

ethyl 3-[4-(hydroxymethyl)phenyl]propanoate

Downstream raw materials:

ethyl 3-{4-[((1R,3r,5S)-3-{[hydroxy(diphenyl)acetyl]oxy}-8-azabicyclo[3.2.1]oct-8-yl)methyl]phenyl}propanoate