1-(1,3-Benzodioxol-5-yl)-1-propanone

Base Information Edit

Chemical Name:1-(1,3-Benzodioxol-5-yl)-1-propanone
CAS No.:28281-49-4
Molecular Formula:C10H10O3
Molecular Weight:178.188
Hs Code.:2932999099
European Community (EC) Number:248-937-6
NSC Number:29484
UNII:79S7K6SNO8
DSSTox Substance ID:DTXSID00182532
Nikkaji Number:J250.689K
Wikipedia:3,4-Methylenedioxypropiophenone
Wikidata:Q4634056
Metabolomics Workbench ID:135261
ChEMBL ID:CHEMBL453952
Mol file:28281-49-4.mol

Synonyms:28281-49-4;1-(benzo[d][1,3]dioxol-5-yl)propan-1-one;1-(1,3-Benzodioxol-5-yl)-1-propanone;3',4'-(Methylenedioxy)propiophenone;1-(1,3-Benzodioxol-5-yl)propan-1-one;1-Propanone, 1-(1,3-benzodioxol-5-yl)-;3',4'-Methylenedioxypropiophenone;3,4-Methylenedioxypropiophenone;NSC 29484;5-Propanoyl-1,3-benzodioxole;3,4-(METHYLENEDIOXY)PROPIOPHENONE;1-(2H-1,3-BENZODIOXOL-5-YL)PROPAN-1-ONE;EINECS 248-937-6;Propiophenone, 3',4'-(methylenedioxy)-;AI3-31258;79S7K6SNO8;MFCD00016652;NSC-29484;5-propionyl-1,3-benzodioxole;EC 248-937-6;1-(BENZO(D)(1,3)DIOXOL-5-YL)PROPAN-1-ONE;3,4-Methylenedioxy Propiophenone;NSC29484;3,4-Methylenedioxyphenyl ethyl ketone;3,4-(Methylenedioxyphenyl)-1-propanone;UNII-79S7K6SNO8;1-(3,4-METHYLENEDIOXYPHENYL)-1-PROPANONE;5-propanoylbenzo[1,3]dioxol;CHEMBL453952;SCHEMBL1092123;DTXSID00182532;CHEBI:167427;BCP13662;AKOS009159521;AC-9516;CS-W017337;(3,4-methylenedioxyphenyl)-1-propanone;AS-64770;SY106387;1-(1,3-benzodioxol-5-yl)-propan-1-one;LS-122728;FT-0605589;FT-0614406;3',4'-(Methylenedioxy)propiophenone, AldrichCPR;A819401;J-017030;Q4634056;1-(BENZ(D)(1,3)DIOXOL-5-YL)PROPAN-1-ONE;10-(2-aminoethylsulfanyl)-10-hydroxy-phenanthren-9-one hydrochloride

Suppliers and Price of 1-(1,3-Benzodioxol-5-yl)-1-propanone

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
3,4-Methylenedioxy propiophenone
500mg
$ 425.00

Matrix Scientific
3',4'-Methylenedioxypropiophenone
10g
$ 100.00

Matrix Scientific
3',4'-Methylenedioxypropiophenone
100g
$ 810.00

American Custom Chemicals Corporation
3,4-(METHYLENEDIOXY)PROPIOPHENONE 95.00%
10G
$ 2148.30

American Custom Chemicals Corporation
3,4-(METHYLENEDIOXY)PROPIOPHENONE 95.00%
1G
$ 716.10

Alfa Aesar
3',4'-(Methylenedioxy)propiophenone, 98%
25g
$ 366.00

Alfa Aesar
3',4'-(Methylenedioxy)propiophenone, 98%
5g
$ 89.10

AHH
3,4-(Methylenedioxy)propiophenone 98%
50g
$ 430.00

Total 93 raw suppliers

Chemical Property of 1-(1,3-Benzodioxol-5-yl)-1-propanone Edit

Chemical Property:

Vapor Pressure:0.000771mmHg at 25°C
Melting Point:34-36 °C
Refractive Index:1.546
Boiling Point:306.4 °C at 760 mmHg
Flash Point:130.1 °C
PSA：35.53000
Density:1.198 g/cm³
LogP:2.00800
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:178.062994177
Heavy Atom Count:13
Complexity:202

Purity/Quality:

98% ^*data from raw suppliers

3,4-Methylenedioxy propiophenone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 33-22
Safety Statements: 26-37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=O)C1=CC2=C(C=C1)OCO2
Uses Intermediate in the production of Isosafrole and Ethylone.

Technology Process of 1-(1,3-Benzodioxol-5-yl)-1-propanone

There total 38 articles about 1-(1,3-Benzodioxol-5-yl)-1-propanone 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: 91.0%

: 120-58-1
isosafrole

: 120-57-0,30024-74-9
piperonal

: 28281-49-4
3,4-methylenedioxypropiophenone

Guidance literature:: With NaY-supported PhI(OAc)2; at 130 ℃; for 0.0833333h; Solvent; Concentration; Temperature; Time; Microwave irradiation;
DOI:10.1021/op060117t