2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoacetaldehyde hydrate

Base Information

Chemical Name:2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoacetaldehyde hydrate
CAS No.:65709-23-1
Molecular Formula:C₉H₆O₄
Molecular Weight:178.144
Hs Code.:2932999099
European Community (EC) Number:676-796-4
Mol file:65709-23-1.mol

Synonyms:362609-92-5;3,4-Methylenedioxyphenylglyoxal hydrate;2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoacetaldehyde hydrate;3,4-(Methylenedioxy)phenylglyoxal hydrate;65709-23-1;1173247-27-2;2-(1,3-benzodioxol-5-yl)-2-oxoacetaldehyde;hydrate;2-(2H-1,3-benzodioxol-5-yl)-2-oxoacetaldehyde hydrate;MFCD06801031;2-(Benzo[d][13]dioxol-5-yl)-2-oxoacetaldehyde hydrate;AKOS005254691;AB29998;DS-0003;A823181;2-(1,3-benzodioxol-5-yl)-2-oxoacetaldehyde hydrate;2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethanal hydrate;2-(Benzo[d][1 pound not3]dioxol-5-yl)-2-oxoacetaldehyde hydrate

Suppliers and Price of 2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoacetaldehyde hydrate

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

Alfa Aesar
3,4-(Methylenedioxy)phenylglyoxal hydrate, 97%, dry wt basis
5g
$ 270.00

Alfa Aesar
3,4-(Methylenedioxy)phenylglyoxal hydrate, 97%, dry wt basis
1g
$ 74.10

Total 12 raw suppliers

Chemical Property of 2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoacetaldehyde hydrate

Chemical Property:

Vapor Pressure:5.34E-07mmHg at 25°C
Melting Point:127-131°C
Boiling Point:396.5°C at 760 mmHg
Flash Point:193.6°C
PSA：61.83000
Density:1.376±0.06 g/cm3(Predicted)
LogP:0.73260
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:196.03717335
Heavy Atom Count:14
Complexity:226

Purity/Quality:

98%Min ^*data from raw suppliers

3,4-(Methylenedioxy)phenylglyoxal hydrate, 97%, dry wt basis ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)C(=O)C=O.O

Technology Process of 2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoacetaldehyde hydrate

There total 6 articles about 2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoacetaldehyde hydrate 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: 80.0%

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

: 65709-23-1
3,4-methylenedioxyphenylglyoxal

Guidance literature:: With copper(II) choride dihydrate; In dimethyl sulfoxide; at 80 ℃;

Reference yield:

: 1-(3,4-methylenedioxyphenyl)-2-iodoethanone

: 65709-23-1
3,4-methylenedioxyphenylglyoxal

Guidance literature:: With iodine; potassium hydroxide; In water; dimethyl sulfoxide; at 100 ℃;
DOI:10.1021/jo302754c

Reference yield:

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

: 65709-23-1
3,4-methylenedioxyphenylglyoxal

Guidance literature:: Multi-step reaction with 3 steps

1: isopropylmagnesium chloride / tetrahydrofuran / -78 - 0 °C / Inert atmosphere

2: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / dimethyl sulfoxide / 19 h / 20 °C

3: dimethyl sulfoxide / 40 h / 60 °C

With isopropylmagnesium chloride; dimethyl sulfoxide; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran; dimethyl sulfoxide;
DOI:10.1002/ejoc.201101835