2'-(4-Bromobenzyloxy)acetophenone

Base Information

• Chemical Name: 2'-(4-Bromobenzyloxy)acetophenone
• CAS No.: 845866-47-9
• Molecular Formula: C₁₅H₁₃BrO₂
• Molecular Weight: 305.171
• DSSTox Substance ID: DTXSID00373584
• Wikidata: Q82161793
• Mol file: 845866-47-9.mol

Synonyms:2'-(4-Bromobenzyloxy)acetophenone;845866-47-9;1-[2-[(4-bromophenyl)methoxy]phenyl]ethanone;SCHEMBL8088242;DTXSID00373584;AKOS000195029;1-(2-(4-bromobenzyloxy)phenyl)ethanone

Chemical Property of 2'-(4-Bromobenzyloxy)acetophenone

Chemical Property:

• Melting Point: 78-82°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 304.00989
• Heavy Atom Count: 18
• Complexity: 272

Purity/Quality:

98%min ^*data from raw suppliers

2'-(4-Bromobenzyloxy)acetophenone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)Br

Technology Process of 2'-(4-Bromobenzyloxy)acetophenone

There total 1 articles about 2'-(4-Bromobenzyloxy)acetophenone 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: 81.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + 1-bromomethyl-4-bromobenzene (589-15-1) → 1-(2-(4-bromobenzyloxy)phenyl)ethanone (845866-47-9)

Guidance literature:

o-hydroxyacetophenone; With sodium ethanolate; In ethanol; at 20 ℃; for 0.0833333h;

1-bromomethyl-4-bromobenzene; In ethanol; for 5h; Reflux;

DOI:10.1002/ardp.201200287

Reference yield: 72.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(2-(4-bromobenzyloxy)phenyl)ethanone (845866-47-9) + N,N-dimethylammonium chloride (506-59-2) → 1-(2-(4-bromobenzyloxy)phenyl)-3-dimethylamino-1-propanone hydrochloride (1440858-15-0)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; Reflux;

DOI:10.1002/ardp.201200287

Reference yield:

1-(2-(4-bromobenzyloxy)phenyl)ethanone (845866-47-9) → 1-(2-(4-bromobenzyloxy)phenyl)-3-(1H-imidazol-1-yl)-1-propanone hydrochloride (1440858-87-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / isopropyl alcohol; water / Reflux

2.1: water / 1 h / Reflux

2.2: 20 °C

With hydrogenchloride; In water; isopropyl alcohol; 1.1: |Mannich Aminomethylation;

DOI:10.1002/ardp.201200287

upstream raw materials:

o-hydroxyacetophenone

1-bromomethyl-4-bromobenzene

Downstream raw materials:

1-(2-(4-bromobenzyloxy)phenyl)-3-(1H-imidazol-1-yl)-1-propanone hydrochloride

±-3-(1H-imidazol-1-yl)-1-(2'-(4-bromobenzyloxy)-phenyl)-1-propanol

1-(2-(4-bromobenzyloxy)phenyl)-3-dimethylamino-1-propanone hydrochloride