2-Bromo-3',4'-(ethylenedioxy)benzophenone

Base Information

• Chemical Name: 2-Bromo-3',4'-(ethylenedioxy)benzophenone
• CAS No.: 164526-08-3
• Molecular Formula: C₁₅H₁₁BrO₃
• Molecular Weight: 319.155
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID80354336
• Wikidata: Q82132408
• Mol file: 164526-08-3.mol

Synonyms:2-Bromo-3',4'-(ethylenedioxy)benzophenone;164526-08-3;(2-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;MFCD00430092;(2-bromophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;Oprea1_612148;Oprea1_816892;DTXSID80354336;STK082846;AKOS001611958;CCG-104498;CS-0357136;A910855;SR-01000079249;SR-01000079249-1;2-bromo-3',4'-(ethylenedioxy)benzophenone, AldrichCPR;6-(2-BROMOBENZOYL)-2,3-DIHYDRO-1,4-BENZODIOXINE;(2-Bromophenyl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone

Chemical Property of 2-Bromo-3',4'-(ethylenedioxy)benzophenone

Chemical Property:

• Vapor Pressure: 5.97E-08mmHg at 25°C
• Boiling Point: 440.3°C at 760 mmHg
• Flash Point: 220.1°C
• PSA: 35.53000
• Density: 1.5g/cm³
• LogP: 3.45130
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 317.98916
• Heavy Atom Count: 19
• Complexity: 333

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-3',4'-(ethylenedioxy)benzophenone 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3Br

Technology Process of 2-Bromo-3',4'-(ethylenedioxy)benzophenone

There total 1 articles about 2-Bromo-3',4'-(ethylenedioxy)benzophenone 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%

benzo-1,4-dioxane (493-09-4) + 2-bromobenzoic acid chloride (7154-66-7) → 6-(2-bromobenzoyl)-1,4-benzodioxane (164526-08-3)

Guidance literature:

With aluminum (III) chloride; In tetrachloromethane;

DOI:10.1134/S1070428018030065

Reference yield: 47.0%

copper(l) cyanide + 6-(2-bromobenzoyl)-1,4-benzodioxane (164526-08-3) → 2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]benzonitrile

Guidance literature:

In N,N-dimethyl-formamide; at 110 - 120 ℃; for 12h;

DOI:10.1134/S1070428018030065

Reference yield:

6-(2-bromobenzoyl)-1,4-benzodioxane (164526-08-3) → 2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]benzonitrile

Guidance literature:

With copper(l) cyanide; In N,N-dimethyl-formamide; at 110 - 120 ℃; for 12h;

DOI:10.1134/S1070428018040085

upstream raw materials:

benzo-1,4-dioxane

2-bromobenzoic acid chloride