1-(4-(3-Bromopropoxy)-3-methoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(4-(3-Bromopropoxy)-3-methoxyphenyl)ethanone
• CAS No.: 3245-49-6
• Molecular Formula: C12H15BrO3
• Molecular Weight: 287.153
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10593433
• Wikidata: Q72511599
• Mol file: 3245-49-6.mol

Synonyms:3245-49-6;1-(4-(3-bromopropoxy)-3-methoxyphenyl)ethanone;1-[4-(3-bromopropoxy)-3-methoxyphenyl]ethanone;1-[4-(3-Bromopropoxy)-3-methoxyphenyl]ethan-1-one;1-(4-(3-Bromopropoxy)-3-methoxyphenyl)ethan-1-one;SCHEMBL6973871;DTXSID10593433;UISSKLNYXVTSHO-UHFFFAOYSA-N;AKOS009294134;AC-25038;3-(p-acetyl-o-methoxyphenoxy)propyl bromide;DB-363166;CS-0451033;1-(4-(3-bromopropoxy)- 3-methoxyphenyl)ethanone;A1-03003

Chemical Property of 1-(4-(3-Bromopropoxy)-3-methoxyphenyl)ethanone

Chemical Property:

• PSA: 35.53000
• Density: 1.334
• LogP: 3.06160
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 286.02046
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(4-(3-Bromopropoxy)-3-methoxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OCCCBr)OC
• Uses: 1-(4-(3-Bromopropoxy)-3-methoxyphenyl)ethanone is a reagent used for preparation of psychotropic agent iloperidone.

Technology Process of 1-(4-(3-Bromopropoxy)-3-methoxyphenyl)ethanone

There total 4 articles about 1-(4-(3-Bromopropoxy)-3-methoxyphenyl)ethanone 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: 90.0%

1,3-dibromo-propane (109-64-8) + 1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) → 1-[4-(3-bromopropoxy)-3-methoxyphenyl]ethanone (3245-49-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 - 85 ℃; for 8h;

DOI:10.14233/ajchem.2013.14169

Reference yield:

1.3-chlorobromopropane (109-70-6) + 1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) → 4-(3-chloropropoxy)-3-methoxyacetophenone (58113-30-7) + 1-[4-(3-bromopropoxy)-3-methoxyphenyl]ethanone (3245-49-6)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In acetonitrile; at 80 ℃; Industry scale;

Reference yield:

C13H15BrO4 → 1-[4-(3-bromopropoxy)-3-methoxyphenyl]ethanone (3245-49-6)

Guidance literature:

With iron(II) chloride; In ethanol; at 80 ℃; for 24h;

DOI:10.1039/d1cc01536b

upstream raw materials:

1,3-dibromo-propane

1-(3-methoxy-4-hydroxyphenyl)ethanone

1.3-chlorobromopropane

Downstream raw materials:

1-[4-[3-(7-fluoro-1,4-dihydrospiro[cyclopent[b]indole-3(2H),4'-piperidine]-1'-yl)propoxy]-3-methoxyphenyl]ethanone

1-[4-[3-[4-(6-fluorobenzo[b]thiophen-3-yl)-1-piperazinyl]propoxy]-3-methoxyphenyl]ethanone

1-[5-methoxy-4-(3-bromo-propoxy)-2-nitro-phenyl]-ethanone

(S)-3-{1-[3-(4-acetyl-2-methoxyphenoxy)propyl]piperidin-2-yl}pyridine oxalate