3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid

Base Information

Chemical Name:3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CAS No.:77269-66-0
Molecular Formula:C11H12 O4
Molecular Weight:208.214
Hs Code.:2932999099
European Community (EC) Number:676-871-1
ChEMBL ID:CHEMBL1983369
DSSTox Substance ID:DTXSID50599090
Mol file:77269-66-0.mol

Synonyms:77269-66-0;2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid;3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid;3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid;3-(1,3-Benzodioxol-5-yl)-2-methyl-propanoic acid;3-(Benzo[d][1,3]dioxol-5-yl)-2-methylpropanoic acid;MFCD06203229;3-(1,3-Dioxaindan-5-yl)-2-methylpropanoic acid;alpha- Methyl-1,3-benzodioxole-5-propanoic Acid;alpha- Methyl-1,?3-benzodioxole-?5-?propanoic Acid;SCHEMBL3098519;CHEMBL1983369;DTXSID50599090;CDA26966;STK351235;AKOS000314076;CS-0264408;EN300-92729;MLS-0466782.0001;+/-- Methyl-1,3-benzodioxole-5-propanoic Acid;3-(Benzo[d][1,3]dioxol-5-yl)-2-methylpropanoicacid

Suppliers and Price of 3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid

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

TRC
α-Methyl-1,?3-benzodioxole-?5-?propanoicAcid
2.5g
$ 120.00

Crysdot
3-(Benzo[d][1,3]dioxol-5-yl)-2-methylpropanoicacid 95+%
25g
$ 519.00

Chemenu
3-(Benzo[d][1,3]dioxol-5-yl)-2-methylpropanoicacid 95%
25g
$ 490.00

Alfa Aesar
2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid
5g
$ 144.00

Alfa Aesar
2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid
1g
$ 50.70

Total 32 raw suppliers

Chemical Property of 3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:77-80℃
Refractive Index:1.567
Boiling Point:351.142°C at 760 mmHg
PKA:4.65±0.10(Predicted)
Flash Point:138.452°C
PSA：55.76000
Density:1.29g/cm³
LogP:1.67850
Water Solubility.:Slightly soluble in water.
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:208.07355886
Heavy Atom Count:15
Complexity:241

Purity/Quality:

99% ^*data from raw suppliers

α-Methyl-1,?3-benzodioxole-?5-?propanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC1=CC2=C(C=C1)OCO2)C(=O)O
Uses It is used as pharmaceutical intermediate.

Technology Process of 3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid

There total 1 articles about 3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid 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: 94.0%

: 40527-53-5,109619-79-6
trans-3-(3,4-methylenedioxyphenyl)-2-methylacrylic acid

: 77269-66-0
3-(3,4-methylenedioxyphenyl)-2-methylpropionic acid

Guidance literature:: With 5% Pd(II)/C(eggshell); hydrogen; In tetrahydrofuran; for 3h; under 2068.65 Torr; Autoclave;
DOI:10.1080/00397910903097302