3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone

Base Information

• Chemical Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone
• CAS No.: 147644-07-3
• Molecular Formula: C16H14 O3
• Molecular Weight: 254.28
• DSSTox Substance ID: DTXSID70352402
• Nikkaji Number: J3.223.132B
• Wikidata: Q82129531
• ChEMBL ID: CHEMBL1379457
• Mol file: 147644-07-3.mol

Synonyms:147644-07-3;3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone;7-benzoyl-3,4-dihydro-2H-1,5-benzodioxepine;Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl-;Maybridge1_002229;Oprea1_458183;MLS000851101;SCHEMBL4158804;CHEMBL1379457;HMS547N07;DTXSID70352402;HMS2811A15;MFCD00114699;AKOS003592803;CCG-233814;SMR000457344;FT-0614305;(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)(phenyl)methanone

Chemical Property of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone

Chemical Property:

• Vapor Pressure: 7.27E-07mmHg at 25°C
• Melting Point: 72 °C
• Boiling Point: 407.9°Cat760mmHg
• Flash Point: 192.2°C
• PSA: 35.53000
• Density: 1.187g/cm³
• LogP: 3.07890
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 254.094294304
• Heavy Atom Count: 19
• Complexity: 309

Purity/Quality:

98%min ^*data from raw suppliers

3,4-Dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)OC1

Technology Process of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone

There total 1 articles about 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)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: 93.0%

3,4-dihydroxybenzophenone (10425-11-3) + 1,3-dibromo-propane (109-64-8) → (3,4-dihydro-2H-benzo[b]1,4-dioxepin-7-yl)(phenyl)methanone (147644-07-3)

Guidance literature:

With potassium carbonate; In ethanol; for 5h; Reflux;

DOI:10.1055/s-0032-1318332

Reference yield: 94.0%

(3,4-dihydro-2H-benzo[b]1,4-dioxepin-7-yl)(phenyl)methanone (147644-07-3) → 3,4-dihydroxybenzophenone (10425-11-3)

Guidance literature:

With aluminum (III) chloride; In benzene; for 1h; Reflux;

DOI:10.1055/s-0032-1318332

upstream raw materials:

3,4-dihydroxybenzophenone

1,3-dibromo-propane

Downstream raw materials:

3,4-dihydroxybenzophenone