Panacyl bromide

Base Information

• Chemical Name: Panacyl bromide
• CAS No.: 94345-04-7
• Molecular Formula: C23H15 Br O3
• Molecular Weight: 419.27
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20241433
• Nikkaji Number: J438.813E
• Wikidata: Q83124939
• Mol file: 94345-04-7.mol

Synonyms:4-(9-anthroyloxy)-2-bromoacetophenone;4-(9-anthroyloxy)phenacyl bromide;panacyl bromide

Chemical Property of Panacyl bromide

Chemical Property:

• Vapor Pressure: 3.1E-14mmHg at 25°C
• Boiling Point: 597.4°Cat760mmHg
• Flash Point: 315.1°C
• PSA: 43.37000
• Density: 1.467g/cm³
• LogP: 5.78980
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 418.02046
• Heavy Atom Count: 27
• Complexity: 518

Purity/Quality:

98%Min ^*data from raw suppliers

4-(9-ANTHROYLOXY)PHENACYL BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OC4=CC=C(C=C4)C(=O)CBr

Technology Process of Panacyl bromide

There total 3 articles about Panacyl bromide 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:

p-(9-anthroyloxy)acetophenone (106864-21-5) → p-(9-anthroyloxy)phenacyl bromide (94345-04-7)

Guidance literature:

With copper(ll) bromide; In chloroform; ethyl acetate; for 2h; Yield given; Heating;

DOI:10.1021/ac00134a027

Reference yield:

anthracen-9-carboxylic acid (723-62-6) → p-(9-anthroyloxy)phenacyl bromide (94345-04-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (CF₃CO)2O / toluene / 2 h / 60 °C

2: CuBr₂ / ethyl acetate; CHCl₃ / 2 h / Heating

With trifluoroacetic anhydride; copper(ll) bromide; In chloroform; ethyl acetate; toluene;

DOI:10.1021/ac00134a027

Reference yield:

4-Hydroxyacetophenone (99-93-4) → p-(9-anthroyloxy)phenacyl bromide (94345-04-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (CF₃CO)2O / toluene / 2 h / 60 °C

2: CuBr₂ / ethyl acetate; CHCl₃ / 2 h / Heating

With trifluoroacetic anhydride; copper(ll) bromide; In chloroform; ethyl acetate; toluene;

DOI:10.1021/ac00134a027

upstream raw materials:

p-(9-anthroyloxy)acetophenone

anthracen-9-carboxylic acid

4-Hydroxyacetophenone

Refernces