5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Base Information

Chemical Name:5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one
CAS No.:137571-73-4
Molecular Formula:C10H10O5
Molecular Weight:210.186
Hs Code.:
European Community (EC) Number:621-085-6
DSSTox Substance ID:DTXSID40394819
Nikkaji Number:J1.871.715H
Wikidata:Q82194451
Mol file:137571-73-4.mol

Synonyms:137571-73-4;5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one;5,7-dihydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one;5,7-dihydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;4H-1,3-BENZODIOXIN-4-ONE, 5,7-DIHYDROXY-2,2-DIMETHYL-;AMY748;SCHEMBL9155082;DTXSID40394819;SCUNOPZGRLWNEJ-UHFFFAOYSA-N;5,7-dihydroxy-2,2-dimethyl-2,4-dihydro-1,3-benzodioxin-4-one;MFCD04039957;AKOS015919663;CS-W006100;GS-3870;FT-0658031;A807278;5,7-Dihydroxy-2,2-dimethyl-4-oxo-1,3-benzodioxane;2,2-Dimethyl-5,7-dihydroxy-4H-1,3-benzodioxin-4-one;5,7-Dihydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one;5,7-dihydroxy-2,2-dimethyl-4H benzo[d][1,3]dioxin-4-one

Suppliers and Price of 5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one

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
5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one
1g
$ 1260.00

Medical Isotopes, Inc.
5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one
100 mg
$ 650.00

Matrix Scientific
5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one 95+%
1g
$ 352.00

Matrix Scientific
5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one 95+%
5g
$ 1062.00

Crysdot
5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one 95+%
25g
$ 980.00

Crysdot
5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one 95+%
5g
$ 297.00

Crysdot
5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one 95+%
10g
$ 446.00

Chemenu
5,7-Dihydroxy-2,2-dimethyl-4-oxo-1,3-benzodioxane 95%
10g
$ 371.00

Chemenu
5,7-Dihydroxy-2,2-dimethyl-4-oxo-1,3-benzodioxane 95%
25g
$ 916.00

Biosynth Carbosynth
5,7-Dihydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one
2 g
$ 450.00

Total 27 raw suppliers

Chemical Property of 5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Chemical Property:

Melting Point:194.5-198.5oC(lit.)
Boiling Point:461.5±34.0 °C(Predicted)
PKA:7.58±0.40(Predicted)
PSA：75.99000
Density:1.400±0.06 g/cm3(Predicted)
LogP:1.38310
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:210.05282342
Heavy Atom Count:15
Complexity:275

Purity/Quality:

97% ^*data from raw suppliers

5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one ^*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:CC1(OC2=CC(=CC(=C2C(=O)O1)O)O)C
Uses 5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one is an intermediate for the synthesis of the precursor compound for Altenuene (A575740), a toxin isolated from the fungus Alternaria tenuis.

Technology Process of 5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one

There total 5 articles about 5,7-Dihydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one 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: 96.0%

: 83-30-7
acide 2,4,6-trihydroxybenzoique

: 67-64-1
acetone

: 137571-73-4
5,7-dihydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one

Guidance literature:: With dmap; thionyl chloride; In 1,2-dimethoxyethane; at 0 - 20 ℃; for 8h; Inert atmosphere;
DOI:10.1016/j.ejmech.2021.113691