Ethanone, 1-(1,3-benzodioxol-5-yl)-2-chloro-

Base Information

• Chemical Name: Ethanone, 1-(1,3-benzodioxol-5-yl)-2-chloro-
• CAS No.: 83070-15-9
• Molecular Formula: C9H7ClO3
• Molecular Weight: 198.60300
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40446049
• Nikkaji Number: J718.119A
• Wikidata: Q82264616
• Mol file: 83070-15-9.mol

Synonyms:83070-15-9;Ethanone, 1-(1,3-benzodioxol-5-yl)-2-chloro-;SCHEMBL6486626;DTXSID40446049;5-(Chloroacetyl)-1,3-benzodioxole;AKOS010996942;chloromethyl 3,4-methylenedioxyphenyl ketone;Ethanone,1-(1,3-benzodioxol-5-yl)-2-chloro-(9ci)

Chemical Property of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-chloro-

Chemical Property:

• PSA: 35.53000
• LogP: 1.83680
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.0083718
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1-(1,3-BENZODIOXOL-5-YL)-2-CHLORO-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)CCl

Technology Process of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-chloro-

There total 5 articles about Ethanone, 1-(1,3-benzodioxol-5-yl)-2-chloro- 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: 99.0%

→ 1-(benzo[d][1,3]dioxol-5-yl)-2-chloroethanone (83070-15-9)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In tetrahydrofuran; at 20 ℃; for 72h; Inert atmosphere;

Reference yield: 55.0%

1-(benzo[d][1,3]dioxol-6-yl)ethanone (3162-29-6) → 1-(benzo[d][1,3]dioxol-5-yl)-2-chloroethanone (83070-15-9)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; at 0 ℃; for 1.5h;

DOI:10.1016/j.tetasy.2004.07.029

Reference yield:

1-(benzo[d][1,3]dioxol-5-yl)-2-diazoethan-1-one (23342-96-3) → 1-(benzo[d][1,3]dioxol-5-yl)-2-chloroethanone (83070-15-9)

Guidance literature:

With hydrogenchloride; at 0 ℃;

upstream raw materials:

1-(benzo[d][1,3]dioxol-5-yl)-2-diazoethan-1-one

1-(benzo[d][1,3]dioxol-6-yl)ethanone

Piperonylic acid

3,4-(methylenedioxy)benzoyl chloride

Downstream raw materials:

(S)-1-(3,4-methylenedioxyphenyl)-2-chloroethanol

2-Benzo[1,3]dioxol-5-yl-2-hydroxy-3-(3,4,5-trimethoxy-phenoxy)-propionitrile

1-(benzo[d][1,3]dioxol-5-yl)-2,2-dibromoethan-1-one

1-(benzo[1,3]dioxol-5-yl)-2-bromoethanone

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