3,4-Dimethoxy-3-cyclobutene-1,2-dione
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3,4-Dimethoxy-3-cyclobutene-1,2-dione
structure -
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CAS No:
5222-73-1
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Formula:
C6H6O4
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Chemical Name:
3,4-Dimethoxy-3-cyclobutene-1,2-dione
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Synonyms:
DIMETHYLSQUARATE;3,4-Dimethoxy-3-cycl;SQUARICACIDDIMETHYLESTER;diMethoxycyclobut-3-ene-1,2-dione;3,4-DIMETHOXYCYCLOBUTANE-1,2-DIONE;1,2-Dimethoxycyclobutene-3,4-dione;1,2-Dimethoxy-1-cyclobutene-3,4-dione;3,4-DIMETHOXYCYCLOBUT-3-ENE-1,2-DIONE;3,4-DIMETHOXY-3-CYCLOBUTENE-1,2-DIONE;3-Cyclobutene-1,2-dione,3,4-dimethoxy-
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CAS No:
3,4-Dimethoxy-3-cyclobutene-1,2-dione Basic Attributes
142.11
142.026611
220-761-4
DTXSID40200269
2914509090
Characteristics
52.6
-0.1
1.3±0.1 g/cm3
55-57 °C(lit.)
286.1°C at 760 mmHg
128.0±30.2 °C
1.478
Very soluble in water.
0-6°C
Safety Information
NONH for all modes of transport
3
42/43
22-24/25-26-36/37/39
P261-P280-P342 + P311
H317-H334
|Danger|H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P285, P302+P352, P304+P341, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4-Dimethoxy-3-cyclobutene-1,2-dione Use and Manufacturing
Compound 30 was synthesized using a modification of the procedure reported by Liu et al. [7]. 3, 4-Dihydroxy-3-cyclobutene-1, 2-dione (squaric acid, 2.053 g, 18 mmol) was dissolved in anhydrous methanol (18 ml), and trimethyl orthoformate (4 ml, 36.5 mmol) was added to the solution. The reaction mixture was refluxed at 56 °C for 24 h. The crude product was then concentrated under reduced pressure. The pale yellow solid was dissolved in methylene chloride and purified on a silica gel column (EtOAc: Hexanes 1:2) to give 3, 4-dimethoxycyclobut-3-ene-1, 2-dione (2.29 g, 89.4percent) as a white solid. mp 55-57 °C (lit. 56-58 °C) [7, 8]
Computed Properties
Molecular Weight:142.11
XLogP3:-0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:142.02660867
Monoisotopic Mass:142.02660867
Topological Polar Surface Area:52.6
Heavy Atom Count:10
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,4-Dimethoxy-3-cyclobutene-1,2-dione
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