3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester

Base Information

Chemical Name:3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester
CAS No.:54011-33-5
Molecular Formula:C11H10O5
Molecular Weight:222.19
Hs Code.:2932999099
European Community (EC) Number:673-463-5
Nikkaji Number:J2.040.962B
ChEMBL ID:CHEMBL1481128
Mol file:54011-33-5.mol

Synonyms:54011-33-5;3-benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester;methyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate;methyl 3-(1,3-benzodioxol-5-yl)-3-oxopropanoate;Methyl b-oxo-1,3-benzodioxole-5-propanoate;MLS000877728;CHEMBL1481128;SCHEMBL13516462;QYNFBQXZTZKAEB-UHFFFAOYSA-N;HMS2222F05;HMS3344F03;AKOS017549321;MB02809;UPCMLD00NBDS-2-300:001;NCGC00165382-01;AM100921;SMR000472078;EN300-1996326;methyl 3-(1,3-dioxaindan-5-yl)-3-oxopropanoate;methyl 3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoate;methyl3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate;beta-oxo-1,3-benzodioxole-5-propanoic acid methyl ester;3-Benzo[1,3]dioxol-5-yl-3-oxopropionic acid methyl ester;3-benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester, AldrichCPR

Suppliers and Price of 3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester

Supply Marketing:

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

Crysdot
Methyl3-(Benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate 95+%
5g
$ 775.00

Chemenu
methyl3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate 95%
5g
$ 732.00

American Custom Chemicals Corporation
3-BENZO[1,3]DIOXOL-5-YL-3-OXO-PROPIONIC ACID METHYL ESTER 98.00%
1G
$ 1149.23

Acrotein
Methylb-oxo-1,3-benzodioxole-5-propanoate 97%
1g
$ 183.33

Acrotein
Methylb-oxo-1,3-benzodioxole-5-propanoate 97%
0.5g
$ 121.00

Total 8 raw suppliers

Chemical Property of 3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester

Chemical Property:

Boiling Point:346.7±42.0 °C(Predicted)
PKA:10.74±0.20(Predicted)
PSA：61.83000
Density:1.317±0.06 g/cm3(Predicted)
LogP:1.16110
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:222.05282342
Heavy Atom Count:16
Complexity:288

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-(Benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester

There total 5 articles about 3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester 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%

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

: 6832-16-2
methyl diazoacetate

: 54011-33-5
3-(3,4-methylenedioxyphenyl)-3-oxopropionic acid methyl ester

Guidance literature:: yttria-stabilized zirconia; In 1,2-dichloro-ethane; for 20h; Heating;
DOI:10.1081/SCC-120028644

Reference yield: 40.0%

: 104548-23-4
4-acetoxy-3-methoxycarbonyl-4-(3,4-methylenedioxyphenyl)but-3-ene-2-one

: 54011-33-5
3-(3,4-methylenedioxyphenyl)-3-oxopropionic acid methyl ester

Guidance literature:: With silica gel; In chloroform; for 48h;

Reference yield:

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 616-38-6
carbonic acid dimethyl ester

: 54011-33-5
3-(3,4-methylenedioxyphenyl)-3-oxopropionic acid methyl ester

Guidance literature:: With potassium hydride; sodium hydride; Yield given. Multistep reaction; 1.) THF, 66 deg C, 2.) reflux, 1 h;
DOI:10.1021/jo00207a034