(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone

Base Information

• Chemical Name: (7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone
• CAS No.: 175136-42-2
• Molecular Formula: C₁₆H₁₃BrO₃
• Molecular Weight: 333.181
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40350410
• Wikidata: Q82126341
• Mol file: 175136-42-2.mol

Synonyms:175136-42-2;(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone;(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-methylphenyl)methanone;Methanone, (7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)-;Maybridge1_002282;Oprea1_029360;HMS547P16;DTXSID40350410;MFCD00218918;STK259024;AKOS003592523;Methanone,(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)-;FT-0604845;(7-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)(p-tolyl)methanone

Chemical Property of (7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone

Chemical Property:

• Vapor Pressure: 9.12E-09mmHg at 25°C
• Melting Point: 110℃
• Boiling Point: 463.4°Cat760mmHg
• Flash Point: 234.1°C
• PSA: 35.53000
• Density: 1.455g/cm³
• LogP: 3.75970
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 332.00481
• Heavy Atom Count: 20
• Complexity: 352

Purity/Quality:

98%min ^*data from raw suppliers

(7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)(4-METHYLPHENYL)METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2Br)OCCO3

Technology Process of (7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone

There total 1 articles about (7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone 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: 76.0%

4-methyl-benzoyl chloride (874-60-2) + 6-bromo-1,4-benzodioxane (52287-51-1) → C16H13BrO3 (175136-42-2)

Guidance literature:

With aluminum (III) chloride; In tetrachloromethane;

DOI:10.1134/S1070428018030065

Reference yield: 63.0%

C16H13BrO3 (175136-42-2) + copper(l) cyanide → 7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile (905809-92-9)

Guidance literature:

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

DOI:10.1134/S1070428018030065

Reference yield:

C16H13BrO3 (175136-42-2) → 7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile (905809-92-9)

Guidance literature:

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

DOI:10.1134/S1070428018040085

upstream raw materials:

4-methyl-benzoyl chloride

6-bromo-1,4-benzodioxane

Downstream raw materials:

7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile

8-hydroxy-8-(4-methylphenyl)-2,3,7,8-tetrahydro-6H-[1,4]dioxino[2,3-f]isoindol-6-one

Refernces