3-(TRIMETHYLSILYL)PROPIOLICACID
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3-(TRIMETHYLSILYL)PROPIOLICACID
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CAS No:
5683-31-8
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Formula:
C6H10O2Si
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Chemical Name:
3-(TRIMETHYLSILYL)PROPIOLICACID
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Synonyms:
TIMTEC-BB SBB009048;3-(TRIMETHYLSILYL)PROPYNOIC ACID;3-(TRIMETHYLSILYL)PROPIOLIC ACID;3-(Trimethylsilyl)propynoic acid 98%;3-(TRIMETHYLSILYL)PROPIOLIC ACID 95%;3-(Trimethylsilyl)propynoic acid,3-(Trimethylsilyl)propiolic acid
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CAS No:
Characteristics
37.3
1.0±0.1 g/cm3
47-49 °C(lit.)
105-110 °C10 mm Hg(lit.)
205 °F
1.452
soluble in methanol.
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|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 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-(TRIMETHYLSILYL)PROPIOLICACID Use and Manufacturing
General procedure: In a test tube, trans-2-decenal (167 mg, 1.0 mmol) was added to a suspension of Fe(NO3)3·9H2O(4.1 mg, 0.010 mmol) and CF3COONa (28 mg, 0.20 mmol) in EtOAc (0.50 mL). O2 balloon (1atm) was attached at top of the test tube, and inner atmosphere was replaced by O2. After stirring16 h at 25 °C, EtOAc (3 mL) and 1M HCl aq. (1 mL) were added and resulting biphasic mixture wasstirred for 1 min. Organic phase was separated, and water phase was extracted by EtOAc (3 mL X2). To the collected organic phase was then added measured amount of biphenyl (as an internalstandard for NMR analysis). The conversion of substrate and the yield of products weredetermined by NMR analysis (400 MHz, CDCl3, 25 °C). Products were identified by comparison tothe NMR signals of authentic samples. The same reaction was performed twice for each reaction.
Computed Properties
Molecular Weight:142.23
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:142.045006092
Monoisotopic Mass:142.045006092
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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