tert-Butylsulfonamide - CAS 34813-49-5

Catalog:	BB022302
Product Name:	tert-Butylsulfonamide
CAS:	34813-49-5
Synonyms:	2-methylpropane-2-sulfonamide

Technical Data

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Computed Properties

IUPAC Name:	2-methylpropane-2-sulfonamide
Description:	tert-Butylsulfonamide (CAS# 34813-49-5) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	137.20
Molecular Formula:	C4H11NO2S
Canonical SMILES:	CC(C)(C)S(=O)(=O)N
InChI:	InChI=1S/C4H11NO2S/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7)
InChI Key:	GWJSQKNYHPYZRN-UHFFFAOYSA-N
Boiling Point:	223.1 ℃ at 760 mmHg
Purity:	98 %
Density:	1.149 g/cm³
Appearance:	Solid
MDL:	MFCD02179404
LogP:	1.85450

Publication Number	Title	Priority Date
US-2015368238-A1	SUBSTITUTED IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TrkA) INHIBITORS	20140623
WO-2015200341-A1	Substituted imidazo[1,2-a]pyridine compounds useful for the treatment of pain	20140623
EP-2947116-A2	Chemically functionalized renewed rubber composition	20140430
US-2015315363-A1	Chemically functionalized renewed rubber composition	20140430
WO-2015156421-A1	Dihydrothiazine and dihydrooxazine derivatives having bace1 inhibitory activity	20140411

PMID	Publication Date	Title	Journal
29024587	20171117	Discovery of a Distinct Chemical and Mechanistic Class of Allosteric HIV-1 Integrase Inhibitors with Antiretroviral Activity	ACS chemical biology
22371117	20120407	Stereoselective synthesis of novel pyrazole derivatives using tert-butansulfonamide as a chiral auxiliary	Organic & biomolecular chemistry
16238329	20051028	Practical asymmetric synthesis of alpha-branched 2-piperazinylbenzylamines by 1,2-additions of organometallic reagents to N-tert-butanesulfinyl imines	The Journal of organic chemistry
15571388	20041208	Stille coupling of stereochemically defined alpha-sulfonamidoorganostannanes	Journal of the American Chemical Society
12423170	20021115	Asymmetric synthesis of alpha,alpha-difluoro-beta-amino acid derivatives from enantiomerically pure N-tert-butylsulfinimines	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.05104977
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	137.05104977
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1