3,4-Methylenedioxymandelic acid

Base Information

Chemical Name:3,4-Methylenedioxymandelic acid
CAS No.:27738-46-1
Molecular Formula:C9H8O5
Molecular Weight:196.16
Hs Code.:2932999099
European Community (EC) Number:248-628-6
UNII:4ZYA58BQJ8
DSSTox Substance ID:DTXSID60950431
Nikkaji Number:J141.112H
Wikidata:Q27133610
Metabolomics Workbench ID:63645
Mol file:27738-46-1.mol

Synonyms:3,4-Methylenedioxymandelic acid;27738-46-1;3,4-(Methylenedioxy)mandelic acid;1,3-Benzodioxole-5-glycolic acid;2-(1,3-benzodioxol-5-yl)-2-hydroxyacetic acid;alpha-Hydroxy-1,3-benzodioxole-5-acetic acid;2-(Benzo[d][1,3]dioxol-5-yl)-2-hydroxyacetic acid;4ZYA58BQJ8;1,3-Benzodioxole-5-glycollic acid;1,3-Benzodioxole-5-acetic acid, .alpha.-hydroxy-;EINECS 248-628-6;1,3-Benzodioxol-5-yl(hydroxy)acetic acid;UNII-4ZYA58BQJ8;SCHEMBL1154990;CHEBI:65054;3,4-methyl-enedioxymandelic acid;DTXSID60950431;MFCD00043585;AKOS009158903;a-hydroxy-1,3-benzodioxole-5-acetic acid;1,3-Benzodioxole-5-aceticacid, a-hydroxy-;1,3-Benzodioxol-5-yl(hydroxy)acetic acid #;CS-0270645;FT-0606553;MANDELIC ACID, 3,4-(METHYLENEDIOXY)-;3,4-(Methylenedioxy)mandelic acid, >=98.0%;F87265;(2H-1,3-Benzodioxol-5-yl)(hydroxy)acetic acid;2-(1,3-dioxaindan-5-yl)-2-hydroxyacetic acid;EN300-1995983;A819174;2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyacetic acid;2-(Benzo[d][1,3]dioxol-5-yl)-2-hydroxyaceticacid;J-016873;(2R)-2-(1,3-Benzodioxol-5-yl)-2-hydroxy-acetate;Q27133610;2-HYDROXY-2-(3,4-METHYLENEDIOXYPHENYL)ACETIC ACID

Suppliers and Price of 3,4-Methylenedioxymandelic 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
1,3-Benzodioxole-5-glycolicAcid
100mg
$ 70.00

TRC
1,3-Benzodioxole-5-glycolicAcid
50mg
$ 50.00

Matrix Scientific
3,4-Methylenedioxymandelic acid
5g
$ 144.00

Matrix Scientific
3,4-Methylenedioxymandelic acid
25g
$ 576.00

American Custom Chemicals Corporation
3,4-(METHYLENEDIOXY)MANDELIC ACID 95.00%
25G
$ 1479.56

American Custom Chemicals Corporation
3,4-(METHYLENEDIOXY)MANDELIC ACID 95.00%
5G
$ 885.31

AK Scientific
3,4-Methylenedioxymandelicacid
5g
$ 244.00

AHH
1,3-Benzodioxole-5-glycolicacid 98%
50g
$ 345.00

Total 77 raw suppliers

Chemical Property of 3,4-Methylenedioxymandelic acid

Chemical Property:

Vapor Pressure:3.1E-07mmHg at 25°C
Melting Point:158-162 °C
Boiling Point:403.5 °C at 760 mmHg
PKA:3.39±0.11(Predicted)
Flash Point:169.2 °C
PSA：75.99000
Density:1.553 g/cm³
LogP:0.53330
Storage Temp.:Hygroscopic, Refrigerator, Under inert atmosphere
Solubility.:Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:196.03717335
Heavy Atom Count:14
Complexity:229

Purity/Quality:

99%, ^*data from raw suppliers

1,3-Benzodioxole-5-glycolicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)C(C(=O)O)O
General Description 1,3-Benzodioxole-5-glycolic acid, also known as 3,4-methylenedioxymandelic acid, is a chiral α-hydroxycarboxylic acid derived from benzo[d][1,3]dioxole-5-carbaldehyde. It has been utilized in diastereomeric resolution processes, particularly for resolving p-substituted 1-arylethylamines, where its enantiopure form ((S)-configuration) demonstrates higher efficiency in resolving amines with electron-withdrawing substituents due to favorable CH···π interactions in crystalline salts. 1,3-BENZODIOXOLE-5-GLYCOLIC ACID's structural and electronic properties contribute to its role as a resolving agent in stereochemical applications.

Technology Process of 3,4-Methylenedioxymandelic acid

There total 22 articles about 3,4-Methylenedioxymandelic 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: 84.0%