1-(4-Bromophenyl)-4-1H-imidazol-1-yl-butanone

Base Information

• Chemical Name: 1-(4-Bromophenyl)-4-1H-imidazol-1-yl-butanone
• CAS No.: 149490-78-8
• Molecular Formula: C₁₃H₁₃BrN₂O
• Molecular Weight: 293.163
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID90435049
• Wikidata: Q82249725
• Mol file: 149490-78-8.mol

Synonyms:149490-78-8;1-(4-Bromophenyl)-4-1H-imidazol-1-yl-butanone;1-(4-bromophenyl)-4-(1H-imidazol-1-yl)butan-1-one;1-(4-bromophenyl)-4-imidazol-1-ylbutan-1-one;1-Butanone, 1-(4-bromophenyl)-4-(1H-imidazol-1-yl)-;1-(4-Bromophenyl)-4-1H-imidazol-1-ylbutanone;DTXSID90435049;AKOS009980405;FT-0718183

Chemical Property of 1-(4-Bromophenyl)-4-1H-imidazol-1-yl-butanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.609
• Boiling Point: 478.6 °C at 760 mmHg
• PKA: 6.93±0.10(Predicted)
• Flash Point: 243.2 °C
• PSA: 34.89000
• Density: 1.39 g/cm³
• LogP: 3.30870
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 292.02113
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

≥95% ^*data from raw suppliers

1-(4-Bromophenyl)-4-1H-imidazol-1-yl-butanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CCCN2C=CN=C2)Br

Technology Process of 1-(4-Bromophenyl)-4-1H-imidazol-1-yl-butanone

There total 6 articles about 1-(4-Bromophenyl)-4-1H-imidazol-1-yl-butanone 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: 50.0%

1H-imidazole (288-32-4) + 1-(4-bromophenyl)-4-chlorobutan-1-one (4559-96-0) → 1-(4-bromophenyl)-4-(1H-imidazol-1-yl)-1-butanone (149490-78-8)

Guidance literature:

In N,N-dimethyl-formamide; at 95 - 100 ℃; for 48h;

Reference yield:

1-(4-bromophenyl)-4-chlorobutan-1-one (4559-96-0) → 1-(4-bromophenyl)-4-(1H-imidazol-1-yl)-1-butanone (149490-78-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 94 percent / p-toluenesulfonic acid / benzene / Heating

2.1: NaOEt / ethanol

2.2: dimethylformamide / 24 h / 70 °C

3.1: aq. HCl / methanol / Heating

With hydrogenchloride; sodium ethanolate; toluene-4-sulfonic acid; In methanol; ethanol; benzene;

DOI:10.1007/s10593-005-0265-6

Reference yield:

2-(4-bromophenyl)-2-[3-(1-imidazolyl)propyl]-1,3-dioxolane → 1-(4-bromophenyl)-4-(1H-imidazol-1-yl)-1-butanone (149490-78-8)

Guidance literature:

With hydrogenchloride; In methanol; Heating;

DOI:10.1007/s10593-005-0265-6

upstream raw materials:

1H-imidazole

1-(4-bromophenyl)-4-chlorobutan-1-one

2-(3-chloropropyl)-2-(4-bromophenyl)-1,3-dioxolane

1-bromo-4-(4-chloro-1,1-diethoxy-butyl)-benzene

Downstream raw materials:

[(2S,5R)-2-(4-Bromo-phenyl)-2-(3-imidazol-1-yl-propyl)-[1,3]oxathiolan-5-yl]-methanol

[(2S,5S)-2-(4-Bromo-phenyl)-2-(3-imidazol-1-yl-propyl)-[1,3]oxathiolan-5-yl]-methanol

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 149490-78-8 1-(4-BROMOPHENYL)-4-1H-IMIDAZOL-1-YL-BUTANONE

Send

Send

Metric Ton KG G Pound L ML

Send

Send