(R)-(+)-2-Methyl-2-propanesulfinamide solution - CAS 196929-78-9

Name: (R)-(+)-2-Methyl-2-propanesulfinamide solution
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015219
Product Name:	(R)-(+)-2-Methyl-2-propanesulfinamide solution
CAS:	196929-78-9
Synonyms:	(R)-2-methylpropane-2-sulfinamide

Technical Data

IUPAC Name:	(R)-2-methylpropane-2-sulfinamide
Description:	(R)-(+)-2-Methyl-2-propanesulfinamide solution (CAS# 196929-78-9) is a chiral ligand used in pharmaceutical compositions. (R)-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-/m1/s1
InChI Key:	CESUXLKAADQNTB-SSDOTTSWSA-N
Boiling Point:	219.957 °C at 760 mmHg
Melting Point:	103-107 °C
Purity:	95 %
Density:	1.124 g/cm³
Solubility:	Soluble in chloroform, methanol, tetrahydrofuran, dichloromethane, dimethyl sulfoxide and most organic solvents.
Appearance:	White to light yellow crystal powder
Storage:	Keep Cold
MDL:	MFCD05861479
LogP:	1.97330

Publication Number	Title	Priority Date
US-2016176868-A1	Bicyclic-pyrimidinedione compounds	20141218
US-2016122318-A1	Isoindoline inhibitors of ror-gamma	20141105
US-2016122345-A1	Dihydropyrrolopyridine inhibitors of ror-gamma	20141105
US-2016120841-A1	Substituted chromanes and method of use	20141031
US-2016096839-A1	Pyrimidinones as factor xia inhibitors	20141001

PMID	Publication Date	Title	Journal
22694241	20120706	Microwave-assisted solvent-free synthesis of enantiomerically pure N-(tert-butylsulfinyl)imines	The Journal of organic chemistry
22566097	20120701	The enantiomers of epiboxidine and of two related analogs: synthesis and estimation of their binding affinity at α4β2 and α7 neuronal nicotinic acetylcholine receptors	Chirality
22412647	20120301	(R)-N-(3-Meth-oxy-phen-yl)-tert-butane-sulfinamide	Acta crystallographica. Section E, Structure reports online
23019473	20120101	A novel asymmetric synthesis of cinacalcet hydrochloride	Beilstein journal of organic chemistry
19319433	20090414	Highly stereoselective methylene transfers onto butanediacetal-protected chiral non-racemic sulfinyl imines using S-ylide technology	Chemical communications (Cambridge, England)

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0