1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone

Base Information

• Chemical Name: 1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone
• CAS No.: 28657-75-2
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.175
• Hs Code.: 29225000
• European Community (EC) Number: 249-131-7
• UNII: I5IA5A30LI
• DSSTox Substance ID: DTXSID00182815
• Nikkaji Number: J250.750A
• Wikidata: Q72439482
• ChEMBL ID: CHEMBL1416743
• Mol file: 28657-75-2.mol

Synonyms:28657-75-2;1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone;1-(6-amino-1,3-benzodioxol-5-yl)ethanone;6'-Amino-3',4'-(methylenedioxy)acetophenone;2-Amino-4,5-methylenedioxyacetophenone;6-Amino-3,4-methylenedioxyacetophenone;1-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-one;2'-Amino-4',5'-(methylenedioxy)acetophenone;1-(6-Amino-2H-1,3-Benzodioxol-5-Yl)Ethan-1-One;I5IA5A30LI;2'-Amino-4',5'-methylenedioxyacetophenone;MLS000037536;Ethanone, 1-(6-amino-1,3-benzodioxol-5-yl)-;EINECS 249-131-7;SMR000035343;6/'-Amino-3/',4/'-(methylenedioxy)acetophenone;5-Acetyl-6-amino-1,3-benzodioxole;UNII-I5IA5A30LI;SCHEMBL209949;cid_120000;CHEMBL1416743;BDBM46441;DTXSID00182815;HMS2424B23;6-Acetyl-1,3-benzodioxole-5-amine;BBL012599;MFCD00075855;STK397878;AKOS000120572;2-amino-4,5-methylenedioxy acetophenone;TS-02494;1-(6-azanyl-1,3-benzodioxol-5-yl)ethanone;A1356;CS-0159845;EU-0066608;FT-0638793;5-ACETYL-6-AMINO-1,3-BENZODIOXOLANE;EN300-18980;1-(6-amino-1,3-dioxaindan-5-yl)ethan-1-one;1-(6-amino-benzo[1,3]dioxol-5-yl)-ethanone;D87852;2-AMINO-4,5-(METHYLENEDIOXY)ACETOPHENONE;4,5-(METHYLENEDIOXY)-2-AMINOACETOPHENONE;A819522;AK-968/41018841;SR-01000597215;1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethan-1-one;SR-01000597215-1;F0850-6815;Z104442602;1-(2-chlorophenyl)-N-(3,4-dimethoxybenzyl)-5-pyridin-4-yl-1H-1,2,3-triazole-4-carboxamide

Chemical Property of 1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone

Chemical Property:

• Appearance/Colour: Brown fine granular crystalline powder
• Vapor Pressure: 1.22E-05mmHg at 25°C
• Melting Point: 168-171 °C
• Refractive Index: 1.611
• Boiling Point: 369 °C at 760 mmHg
• PKA: 2.48±0.20(Predicted)
• Flash Point: 218.6 °C
• PSA: 61.55000
• Density: 1.332 g/cm³
• LogP: 1.78130
• Solubility.: soluble in Dimethylformamide
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

6-Amino-3,4-methylenedioxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1N)OCO2

Technology Process of 1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone

There total 8 articles about 1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone 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: 100.0%

N-(6-acetylbenzo[d][1,3]dioxol-5-yl)-4-methylbenzenesulfonamide (460994-52-9) → 2-amino-4,5-methylenedioxy-acetophenone (28657-75-2)

Guidance literature:

N-(6-acetylbenzo[d][1,3]dioxol-5-yl)-4-methylbenzenesulfonamide; With sulfuric acid; at 0 - 20 ℃; for 2h; Inert atmosphere; Schlenk technique;

With sodium hydrogencarbonate; Inert atmosphere; Schlenk technique;

DOI:10.1039/c3cc41915k

Reference yield: 93.0%

C9H6N2O3*ClH → 2-amino-4,5-methylenedioxy-acetophenone (28657-75-2)

Guidance literature:

With sodium hydroxide; In water;

Reference yield: 83.0%

methyl 3,4-(methylenedioxy)-6-nitrophenyl ketone (56136-84-6) → 2-amino-4,5-methylenedioxy-acetophenone (28657-75-2)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethyl acetate; at 20 ℃; for 12h;

upstream raw materials:

ethyl iodide

propiophenone

ethyl bromide

triphenylmethyl sodium

Downstream raw materials:

(E)-1-(6-Amino-benzo[1,3]dioxol-5-yl)-3-(3-methoxy-phenyl)-propenone

1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

6-(3-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8(5H)-one