1,2,3-Oxathiazolidine-3-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester, 2,2-dioxide, (5R)-

HCID 86612930
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Grundinformationen

CAS
863453-61-6
Standard-SMILES
C[C@@H]1CN(C(=O)OC(C)(C)C)S(=O)(=O)O1
InChIKey
ZGFOJWQAHCHOLG-ZCFIWIBFSA-N
Summenformel
C8H15NO5S
Durchschnittliche Molmasse
237,28 g/mol
Monoisotopische Masse
237,06709375

Namen und Bezeichner

Bevorzugter Name
1,2,3-Oxathiazolidine-3-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester, 2,2-dioxide, (5R)-
IUPAC
tert-butyl (5R)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylate
Englischer Name
(r)-tert-butyl 5-methyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide
Summenformel
C8H15NO5S
Molmasse
237.27

Namen und Synonyme

863453-61-6(r)-tert-butyl 5-methyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxideDTXSID3011173021,2,3-Oxathiazolidine-3-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester, 2,2-dioxide, (5R)-RefChem:410676DTXCID801548873855-225-4MFCD27999446(5R)-2,2-Dioxido-5-methyl-1,2,3-oxathiazolidine, N-boc protected1,2,3-Oxathiazolidine-3-carboxylic acid, 5-methyl-, 1,1-dimethylethylester, 2,2-dioxide, (5R)-tert-butyl (5R)-5-methyl-2,2-dioxooxathiazolidine-3-carboxylatetert-butyl (R)-5-methyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide
Weitere Namen anzeigen
Repotrectinib intermediate(R)-3-Boc-5-methyl-1,2,3-oxathiazolidineTERT-BUTYL(5R)-5-METHYL-2,2-DIOXO-OXATHIAZOLIDINE-3-CARBOXYLATEtert-butyl (5R)-5-methyl-2,2-dioxo-1,2λ6,3-oxathiazolidine-3-carboxylate5-Methyl-1,2,3-oxathiazolidine-3-carboxylic acid 1,1-dimethylethyl ester 2,2-dioxide (5R)- (9CI aci)
tert-Butyl (5R)-5-methyl-2,2-dioxo-oxathiazolidine-3-carboxylateSCHEMBL2980172(R)-3-Boc-5-methyl-1,2,3-oxathiazolidine 2,2-dioxideZGFOJWQAHCHOLG-ZCFIWIBFSA-NAKOS025289819AS-52160SY099659DB-389055

Datenbank-Bezeichner

CAS
863453-61-6
PubChem CID
86612930
DTXSID
DTXSID301117302
EC Number
855-225-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
81,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
2
Schwere Atome
15

Physikochemische Eigenschaften

Schmelzpunkt
117 · 117-118 °C
Siedepunkt
293.5 · 293.5±23.0 °C(Predicted)
Dichte
1.285 · 1.285±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-13.55 · -13.55±0.40(Predicted)
InChI
InChI=1S/C8H15NO5S/c1-6-5-9(15(11,12)14-6)7(10)13-8(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Sicherheitsdaten

hs_code
2934100090

Chemie und Industrie

Anwendungen

VerwendenUsed as a pharmaceutical intermediate.

Anbieter70 Anbieter

上海康恩博医药科技有限公司17510465506 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]

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