4-Chloro-3',4'-(ethylenedioxy)benzophenone

Base Information

• Chemical Name: 4-Chloro-3',4'-(ethylenedioxy)benzophenone
• CAS No.: 101018-98-8
• Molecular Formula: C15H11ClO3
• Molecular Weight: 274.7
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID90350389
• Wikidata: Q82126306
• Mol file: 101018-98-8.mol

Synonyms:4-Chloro-3',4'-(ethylenedioxy)benzophenone;101018-98-8;(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;MFCD01105757;Oprea1_163583;Oprea1_364438;DTXSID90350389;BEA01898;STK101204;AKOS003592401;4-Chloro-3/',4/'-(ethylenedioxy)benzophenone;A911811;SR-01000310738;SR-01000310738-1;(4-chlorophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

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

Chemical Property:

• Vapor Pressure: 1.43E-07mmHg at 25°C
• Melting Point: 107-108 °C(Solv: ethanol (64-17-5))
• Boiling Point: 429.2°C at 760 mmHg
• Flash Point: 179.4°C
• PSA: 35.53000
• Density: 1.318g/cm³
• LogP: 3.34220
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 274.0396719
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about 4-Chloro-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: 83.0%

benzo-1,4-dioxane (493-09-4) + 4-chloro-benzoyl chloride (122-01-0) → (4-Chloro-phenyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanone (101018-98-8)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 15 ℃; for 1h;

DOI:10.1007/BF00766841

Reference yield: 87.0%

(4-Chloro-phenyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanone (101018-98-8) → (4-chlorophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (775350-97-5)

Guidance literature:

With sodium tetrahydroborate;

DOI:10.1134/S107042801509002X

Reference yield:

(4-Chloro-phenyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanone (101018-98-8) → 6-[(4-chlorophenyl)(ethoxy)methyl]-2,3-dihydro-1,4-benzodioxine

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate

2: hydrogenchloride / water / 168 h / 20 °C

With hydrogenchloride; sodium tetrahydroborate; In water;

DOI:10.1134/S107042801509002X

upstream raw materials:

benzo-1,4-dioxane

4-chloro-benzoyl chloride

Downstream raw materials:

(4-chlorophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

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