Diethyl acetylenedicarboxylate
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Diethyl acetylenedicarboxylate
structure -
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CAS No:
762-21-0
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Formula:
C8H10O4
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Chemical Name:
Diethyl acetylenedicarboxylate
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Synonyms:
2-Butynedioic acid,1,4-diethyl ester;Acetylenedicarboxylic acid,diethyl ester;2-Butynedioic acid,diethyl ester;Diethyl acetylenedicarboxylate;Bis(ethoxycarbonyl)acetylene;Diethyl 2-butynedioate;Bis(carboethoxy)acetylene;Diethyl acetylenedicarboxylic acid;NSC 674446;NSC 67975;Diethyl 1,2-acetylenedicarboxylate;Diethyl butynedioate;1,4-Diethyl but-2-ynedioate;59338-98-6;2387559-41-1
- Categories:
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CAS No:
Diethyl acetylenedicarboxylate Basic Attributes
170.16
170.16
743166
212-095-8
674446|67975
DTXSID20227055
29171990
Characteristics
52.6
1.5
Clear light yellow Liquid
1.1±0.1 g/cm3
1.5 °C
108-118 °C @ Press: 10 Torr
202 °F
1.452
soluble in ethanol, ethyl ether, CCl4, Insoluble in water.
0-6°C
Safety Information
III
8
UN 3265 8/PG 2
3
34
26-36/37/39-45-25
C
Stable at room temperature in closed containers under normal storage and handling conditions.
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory.
Diethyl acetylenedicarboxylate Use and Manufacturing
1, ethanol (1. 2g, 26mmol), butyne acid (lg, 8. 77mmol), p-toluenesulfonic acid (30mg, 0. 17mmol) and 1, 2-dichloroethane (50 mL) added to a 250mL round-bottomed flask.After refluxing for 12 hours, was added 50mL continue refluxing toluene (with trap) for 8 hours.Concentrated and purified by flash chromatography (eluent PE / EA = 98/2) give purified diethyl butyne (1.35 g of, 91percent yield).
Computed Properties
Molecular Weight:170.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:170.05790880
Monoisotopic Mass:170.05790880
Topological Polar Surface Area:52.6
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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