tert-Butylsulfinamide, (S)-(-)-
Grundinformationen
- CAS
343338-28-3- Standard-SMILES
CC(C)(C)[S@@](N)=O- InChIKey
CESUXLKAADQNTB-ZETCQYMHSA-N- Summenformel
- C4H11NOS
- Durchschnittliche Molmasse
- 121,2 g/mol
- Monoisotopische Masse
- 121,05613515
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- tert-Butylsulfinamide, (S)-(-)-
- IUPAC
- (S)-2-methylpropane-2-sulfinamide
- Englischer Name
- (S)-(-)-2-Methyl-2-propanesulfinamide
- Summenformel
- C4H11NOS
- Molmasse
- 121.2
Namen und Synonyme
343338-28-3(S)-(-)-2-Methyl-2-propanesulfinamide(S)-tert-butylsulfinamide(S)-(-)-tert-Butanesulfinamide(S)-tert-butanesulfinamide(s)-2-methyl-2-propanesulfinamideTBSA cpdEllman's sulfinamides (S)-(S)-(-)-tert-Butyl sulfinamidetert-Butylsulfinamide, (S)-(-)-tert-Butanesulfinamide, (S)-(-)-2-Propanesulfinamide, 2-methyl-, (S(S))-
Weitere Namen anzeigen
TERT-BUTYL SULFINAMIDES-BSNfinamideSuprabasinCAS:343338-28-3S-tert-butylsulfonamideS- tert butyl sulfenaMide
RefChem:932758I85YC2ZA8O(s)-2-methylpropane-2-sulfinamide(S)-(-)-tert-Butylsulfinamide(S)-(-)-t-ButylsulfinamideMFCD05861480(5)-2-methylpropane-2-sulfinamide(S)-t-butyl sulfinamide
Datenbank-Bezeichner
- CAS
343338-28-3- PubChem CID
- 11355477
- EC Number
- 640-158-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 62,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 84,2
Physikochemische Eigenschaften
- Schmelzpunkt
- 97 · 97-101 °C(lit.)
- Siedepunkt
- 220 · 220.0±23.0 °C(Predicted)
- Dichte
- 1.124 · 1.124
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 10.11 · 10.11±0.50(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- White
- Stabilität
- store cold
- InChI
- InChI=1/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/s3
- InChIKey
- CESUXLKAADQNTB-SSDOTTSWSA-N
- SMILES
- CC(C)([S@@](N)=O)C |&1:3,r|
- CAS Datenbank
- 343338 · 343338-28-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (3 of 9) of reports.
Warning
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- hs_code
- 29309090
- risk_code
- 11-19-36/37-40
- hazard_code
- Xi,Xn,F
- hazard_note
- Irritant/Keep Cold
- safety_code
- 16-26-36/37-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden(S)-(-)-2-Methyl-2-propanesulfinamide is used in Suzuki reaction. It is also employed as a reagent for synthesizing chiral amines. It acts as a chiral auxiliary used in an asymmetric synthesis of trifluoroethylamines by conversion of trifluoroacetaldehyde to a chiral imine. It is also involved in the transformation of P,N-sulfinyl imine ligands through condensation with aldehydes and ketones, which can undergo iridium-catalyzed asymmetric hydrogenation of olefins. Further, it serves as a reagent for the preparation of chemicals and pharmaceutical intermediates.
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