2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid
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2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid
structure -
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CAS No:
4442-54-0
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Formula:
C9H8O4
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Chemical Name:
2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid
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Synonyms:
1,4-Benzodioxin-6-carboxylic acid,2,3-dihydro-;1,4-Benzodioxan-6-carboxylic acid;2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid;1,4-Benzodioxane-6-carboxylic acid;3,4-Ethylenedioxybenzoic acid;2,3-Dihydrobenzo[1,4]dioxine-6-carboxylic acid;2,3-Dihydrobenzo[1,4]dioxin-6-carboxylic acid;2,3-Dihydrobenzo[b][1,4]-dioxin-6-carboxylic acid;2,3-Dihydrobenzo[b][1,4]dioxine-6-carboxylic acid;2,3-Dihydro-1,4-benzodioxane-6-carboxylic acid
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CAS No:
2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid Basic Attributes
180.16
180.16
DTXSID00374511
2932999099
Characteristics
55.8
0.3
Pale brown Crystalline Solid
1.4±0.1 g/cm3
135-136 °C
339.8°C at 760 mmHg
142.0±21.1 °C
1.587
Safety Information
IRRITANT
3
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid Use and Manufacturing
General procedure: Aqueous NaOH (1.6 mL of 6 M solution) was added to a stirred solution of the urea-hydrogen peroxide complex (1:1) (6 g, 63.4 mmol) and aldehyde 3a-f (4.28 mmol) in 20 mL of CH25 g of the product of Example 1, Adding 500 mL of water to raise the temperature to 70-80 DEG C, Then, 30 g of KMnO4 + 500 mL of an aqueous solution was prepared, Dropping into the above reaction solution, heating for 40 minutes and heating to reflux for 2 hours, The reaction was terminated by TLC, cooled to room temperature, alkalified by addition of 10percent aqueous KOH, Filter cake washed with water to neutral, the filtrate acidified with concentrated hydrochloric acid, A large amount of white solid was precipitated, and the filter cake was washed with water and dried to obtain 23 g of a white solid in 90percent yield.
3,4-Ethylenedioxybenzoic Acid is used in the preparation of new anti-inflammatory compounds containing the 1,4-benzodioxine system.
Computed Properties
Molecular Weight:180.16
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:55.8
Heavy Atom Count:13
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid
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