3',4'-(Methylenedioxy)acetophenone

Base Information

• Chemical Name: 3',4'-(Methylenedioxy)acetophenone
• CAS No.: 3162-29-6
• Molecular Formula: C9H8O3
• Molecular Weight: 164.161
• Hs Code.: 29329990
• European Community (EC) Number: 221-613-1
• NSC Number: 21866
• UNII: 8JG2OH2M57
• DSSTox Substance ID: DTXSID40185502
• Nikkaji Number: J150.078C
• Wikidata: Q72490442
• ChEMBL ID: CHEMBL1380211
• Mol file: 3162-29-6.mol

Synonyms:3162-29-6;3',4'-(Methylenedioxy)acetophenone;1-(Benzo[d][1,3]dioxol-5-yl)ethanone;5-Acetyl-1,3-benzodioxole;3,4-Methylenedioxyacetophenone;1-(1,3-Benzodioxol-5-yl)ethanone;Acetopiperone;3',4'-Methylenedioxyacetophenone;3,4-(Methylenedioxy)acetophenone;1-(1,3-Benzodioxol-5-yl)ethan-1-one;Ethanone, 1-(1,3-benzodioxol-5-yl)-;MFCD00005831;1-(1,3-Benzodioxol-5-yl)-1-ethanone;1-Benzo[1,3]dioxol-5-yl-ethanone;3,4-METHYLENDIOXYACETOPHENONE;8JG2OH2M57;3,4-Methylenedioxy-acetophenone;EINECS 221-613-1;NSC 21866;NSC-21866;AI3-30572;1-(2H-1,3-benzodioxol-5-yl)ethan-1-one;Acetopiperon;NSC21866;MOSKACHAN A;UNII-8JG2OH2M57;3,4-Methylenedioxycetophenone;5 -acetyl-1,3-benzodioxole;MLS000515804;SCHEMBL137979;3,4-Methylen-dioxy-acetophenon;3,4-methylenedioxy acetophenone;CHEMBL1380211;BMHMKWXYXFBWMI-UHFFFAOYSA-;DTXSID40185502;CHEBI:167425;3', 4'-methylenedioxyacetophenone;3',4'-methylenedioxy-acetophenone;HMS2268E15;3,4-(Methylenedioxy) Acetophenone;1-acetyl-3,4-methylenedioxybenzene;STR03337;STL183268;1-(1,3-benzodioxol-5-yl)-ethanone;3',4'-(methylenedioxy) acetophenone;1-(BENZODIOXOL-5-YL)ETHANONE;1-acetyl-3,4-(methylenedioxy)benzene;3,4-METHYLENDIOXY ACETOPHENONE;AKOS000119406;AC-9517;CS-W010839;FS-3660;1-(1,3-benzodioxol-5-yl)acetaldehyde;1-(1,3-Benzodioxol-5-yl)ethanone #;1-(1,3-dioxaindan-5-yl)ethan-1-one;NCGC00246999-01;SMR000112277;SY048504;ACETOPHENONE, 3,4-METHYLENEDIOXY-;3',4'-(Methylenedioxy)acetophenone, 98%;AM20050569;FT-0614104;M0874;1-(benzo[d][1,3]dioxol-5-yl)ethan-1-one;EN300-20343;ACETOPHENONE, 3',4'-(METHYLENEDIOXY)-;F10428;1-(BENZ(D)(1,3)DIOXOL-5-YL)ETHANONE;3,4-(METHYLENEDIOXY)PHENYL METHYL KETONE;AE-508/40226031;W-106888;F0001-0949;3 inverted exclamation mark ,4 inverted exclamation mark -(Methylenedioxy)acetophenone

Chemical Property of 3',4'-(Methylenedioxy)acetophenone

Chemical Property:

• Appearance/Colour: Beige solid.
• Melting Point: 87-89 °C(lit.)
• Refractive Index: 1.5260 (estimate)
• Boiling Point: 294.6 °C at 760 mmHg
• Flash Point: 122.8 °C
• PSA: 35.53000
• Density: 1.242 g/cm³
• LogP: 1.61790
• Storage Temp.: Store at RT.
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.047344113
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

98% ^*data from raw suppliers

3'',4''-(Methylenedioxy)acetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)OCO2
• Uses: 3?,4?-(Methylenedioxy)acetophenone is used in the synthesis of N-ethyl-1-(3,4-methylenedioxyphenyl)ethylamine. 3′,4′-(Methylenedioxy)acetophenone was used in the synthesis of N-ethyl-1-(3,4-methylenedioxyphenyl)ethylamine.

Technology Process of 3',4'-(Methylenedioxy)acetophenone

There total 63 articles about 3',4'-(Methylenedioxy)acetophenone 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: 98.0%

Methylenedioxybenzene (274-09-9) + acetic anhydride (108-24-7) → 1-(benzo[d][1,3]dioxol-6-yl)ethanone (3162-29-6)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2018.01.026

Reference yield: 96.0%

Methylenedioxybenzene (274-09-9) + acetic acid (64-19-7,77671-22-8) → 1-(benzo[d][1,3]dioxol-6-yl)ethanone (3162-29-6)

Guidance literature:

In nitrobenzene; at 80 ℃;

Reference yield: 95.0%

1-benzo[1,3]dioxol-5-yl-ethanol (6329-73-3,91613-73-9,120523-14-0) → 1-(benzo[d][1,3]dioxol-6-yl)ethanone (3162-29-6)

Guidance literature:

With 2,2'-bipyridinium chlorochromate; In dichloromethane; for 3.5h;

upstream raw materials:

diazomethane

piperonal

Methylenedioxybenzene

acetic anhydride

Downstream raw materials:

1-benzo[1,3]dioxol-5-yl-3-(2,4,6-trihydroxy-phenyl)-propenone

(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

1-benzo[1,3]dioxol-5-yl-3-(2-hydroxy-phenyl)-propenone

(2E)-1-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2-propen-1-one

Refernces

• 1、 -. "AN EFFICIENT PROCESS FOR PREPARATION OF ACYL DERIVATIVES OF ALKYLENEDIOXYBENZENES". Paragraph 0098. . Retrieved 2021/08/20.
• 2、 Shibasaki, Kaho,Togo, Hideo. "Facile preparation of 5-alkyl-1-aryltetrazoles with arenes, acyl chlorides, hydroxylamine, and diphenylphosphoryl azide". . p. 1816 - 1830. Retrieved 2020/11/19.