(S)-(-)-2-Methyl-2-propanesulfinamide - CAS 343338-28-3
Catalog: |
BB022077 |
Product Name: |
(S)-(-)-2-Methyl-2-propanesulfinamide |
CAS: |
343338-28-3 |
Synonyms: |
(S)-2-methyl-2-propanesulfinamide; (S)-2-methylpropane-2-sulfinamide |
IUPAC Name: | (S)-2-methylpropane-2-sulfinamide |
Description: | (S)-(-)-2-Methyl-2-propanesulfinamide (CAS# 343338-28-3) is a chiral ligand used in pharmaceutical compositions. (S)-tert-Butylsulfinamide can be readily transformed into P,N-sulfinyl imine ligands through condensation with aldehydes and ketones, which can undergo iridium-catalyzed asymmetric hydrogenation of olefins. |
Molecular Weight: | 121.20 |
Molecular Formula: | C4H11NOS |
Canonical SMILES: | CC(C)(C)S(=O)N |
InChI: | InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m0/s1 |
InChI Key: | CESUXLKAADQNTB-ZETCQYMHSA-N |
Boiling Point: | 200.6 °C at 760 mmHg |
Melting Point: | 106 °C |
Purity: | 99 % |
Density: | 1.044 g/cm3 |
Appearance: | Powder or crystals |
Storage: | Keep cold. |
MDL: | MFCD05861480 |
LogP: | 1.97330 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22371117 | 20120407 | Stereoselective synthesis of novel pyrazole derivatives using tert-butansulfonamide as a chiral auxiliary | Organic & biomolecular chemistry |
19319433 | 20090414 | Highly stereoselective methylene transfers onto butanediacetal-protected chiral non-racemic sulfinyl imines using S-ylide technology | Chemical communications (Cambridge, England) |
18433174 | 20080516 | Stereoselective synthesis of novel uracil polyoxin C conjugates as substrate analogues of chitin synthase | The Journal of organic chemistry |
17288383 | 20070216 | Syntheses of novel chiral sulfinamido ligands and their applications in diethylzinc additions to aldehydes | The Journal of organic chemistry |
Complexity: | 84.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.05613515 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.05613515 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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