4-Aminotetrahydro-2H-thiopyran 1,1-dioxide
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4-Aminotetrahydro-2H-thiopyran 1,1-dioxide
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CAS No:
210240-20-3
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Formula:
C5H11NO2S
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Chemical Name:
4-Aminotetrahydro-2H-thiopyran 1,1-dioxide
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Synonyms:
2H-Thiopyran-4-amine,tetrahydro-,1,1-dioxide(9CI);4-Aminotetrahydro-2H-thiopyran 1,1-dioxide;Tetrahydro-2H-thiopyran-4-amine 1,1-dioxide;(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amine(SALTDATA: HCl);2H-Thiopyran-4-aMine, tetrahydro-, 1,1-dioxide;1,1-Dioxo-tetrahydrothiopyran-4-aMine;(1,1-diketothian-4-yl)amine hydrochloride;1,1-dioxo-4-thianamine hydrochloride
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CAS No:
4-Aminotetrahydro-2H-thiopyran 1,1-dioxide Basic Attributes
149.21
149.05100
DTXSID40329247
2934999090
Safety Information
Ⅲ
3077
9
P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Aminotetrahydro-2H-thiopyran 1,1-dioxide Use and Manufacturing
To a stirred solution of compound 4.3 (0.14 g, 0.85 mmol) in methanol, was added Raney Ni, and the resulting mixture was stirred at room temperature for 3 h under a hydrogen atmosphere. The progress of the reaction was monitored by TLC. Upon completion of the reaction, the reaction mixture was filtered and the methanol filtrate concentrated under reduced pressure to give compound 4.4 (0.10 g, 78percent).To a mixture of 10 g (0.026 mole) of the N-ben-zoyloxycarbonyl-sulfone 20 in 150 mL of ethanol in a Parr bottle was added 0.5 g of palladium hydroxide (20percent on Carbon, Pearlman's catalyst). This was subjected to the Parr hydrogenator at 50 psi for 15 hours until completion. This was filtered over Celite and concentrated in vacuo affording 5.0 g of the free amine 21 (68percent yield).
Computed Properties
Molecular Weight:149.21
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:149.05104977
Monoisotopic Mass:149.05104977
Topological Polar Surface Area:68.5
Heavy Atom Count:9
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Aminotetrahydro-2H-thiopyran 1,1-dioxide
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