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5-Methoxymethylene- 2,2-dimethyl-[1,3]dioxane-4,6-

5-Methoxymethylene- 2,2-dimethyl-[1,3]dioxane-4,6- structure

CAS No:
15568-85-1
Formula:
C8H10O5
Chemical Name:
5-Methoxymethylene- 2,2-dimethyl-[1,3]dioxane-4,6-
Synonyms:
5-(methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione;methoxymethylene cyclic isopropylidene malonate;methoxymethylene Meldrum"s acid;5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione;1,3-Dioxane-4,6-dione, 5-(methoxymethylene)-2,2-dimethyl-;MFCD00599240;NSC662768;5-Methoxymethylene-2,2-dimethyl-[1,3]dioxane-4,6-dione
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-Methoxymethylene- 2,2-dimethyl-[1,3]dioxane-4,6- Basic Attributes

Molecular Weight：

186.16

Exact Mass：

186.052826

NSC Number：

662768

DSSTox ID：

DTXSID10165952

HScode：

2934999090

Characteristics

PSA：

61.8 Å²

Density：

1.3±0.1 g/cm3

Melting Point：

132-134ºC

Boiling Point：

390°C at 760 mmHg

Flash Point：

178.7±27.9 °C

Refractive Index：

1.523

Drug Information

MeSH Entry Terms：

5-(methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

5-Methoxymethylene- 2,2-dimethyl-[1,3]dioxane-4,6- Use and Manufacturing

The Meldrum's acid [1] (50.0 g, 347 mmol) and trimethyl orthoformate [2] (184 g) were charged into a 500 mL four-necked flask and heated under reflux for 1 hour. After completion of the reaction, the solvent was removed by an evaporator, and the crude product was recrystallized in a hexane / tetrahydrofuran mixed solvent to give 43.7 g of the compound [66] (yield: 68percent).A solution of 2, 2-dimethyl-1, 3-dioxane-4, 6-dione (10.0g, 69.4mmol) disolved in trimethoxymethane (40mL, 366mmol) was refluxed at 110°C for 3 hours.Then the reaction mixture was cooled to room temperatue and yellow crystalformed, the crystal was filtered out, washed with petroleum ether and dried in the air to give the titled compound as a light yellow crystaline solid (7.5g, 59percent). 1H NMR (400 MHz, Chloroform-d) δ 8.15 (s, 1H), 4.27 (s, 3H), 1.72(s, 6H).

Computed Properties

Molecular Weight:186.16
XLogP3:0.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:186.05282342
Monoisotopic Mass:186.05282342
Topological Polar Surface Area:61.8
Heavy Atom Count:13
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-(methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

CAS No.: 15568-85-1

Content: 99.00%

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Guide of 5-Methoxymethylene- 2,2-dimethyl-[1,3]dioxane-4,6-

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
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