1,4-Benzodioxane-2-carboxylic acid
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1,4-Benzodioxane-2-carboxylic acid
structure -
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CAS No:
3663-80-7
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Formula:
C9H8O4
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Chemical Name:
1,4-Benzodioxane-2-carboxylic acid
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Synonyms:
1,4-Benzodioxin-2-carboxylic acid,2,3-dihydro-;1,4-Benzodioxan-2-carboxylic acid;2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid;1,4-Benzodioxane-2-carboxylic acid;RX 811056;(±)-1,4-Benzodioxan-2-carboxylic acid;2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid;2,3-Dihydrobenzo[b][1,4]dioxine-2-carboxylic acid;2,3-Dihydro-1,4-benzodioxine-3-carboxylic acid;34385-93-8
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CAS No:
Characteristics
55.8
1.4
white to off-white solid
1.4±0.1 g/cm3
116-117 °C
347.2°C at 760 mmHg
145.4±21.1 °C
1.575
Safety Information
NONH for all modes of transport
3
36/37/38
24/25
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,4-Benzodioxane-2-carboxylic acid Use and Manufacturing
The compound b was weighed and dissolved in KOH aqueous solution (0.3n, 1.3 equiv). KMnO4 (2.0 equiv) was slowly added at 0 ° C. The mixture was stirred for about 10 min at low temperature and stirred overnight at room temperature. The organic phase was extracted with dichloromethane and the organic phase was washed with water and the organic phase was dried and concentrated to give a white solid, which was obtained as a mixture of the compound c. The product was purified by flash chromatography on silica gel, , Yield 92.5percent.General procedure: Methyl 1, 4-benzodioxan-2-carboxylate (±)-17a was dissolved in THF/ H
Used as intermediate for doxazosin
Computed Properties
Molecular Weight:180.16
XLogP3:1.4
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
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,4-Benzodioxane-2-carboxylic acid
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