N-Boc-O-(mesitylsulfonyl)hydroxylamine - CAS 36016-39-4
Catalog:
BB022831
Product Name:
N-Boc-O-(mesitylsulfonyl)hydroxylamine
CAS:
36016-39-4
Synonyms:
2,4,6-trimethylbenzenesulfonic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester; [(2-methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate
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BB022831
25 g
$198
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IUPAC Name: [(2-methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate
Description: N-Boc-O-(mesitylsulfonyl)hydroxylamine (CAS# 36016-39-4) is a useful reagent for the enantioselective aziridination of α,β-unsaturated aldehydes.
Molecular Weight: 315.39
Molecular Formula: C14H21NO5S
Canonical SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)ONC(=O)OC(C)(C)C)C
InChI: InChI=1S/C14H21NO5S/c1-9-7-10(2)12(11(3)8-9)21(17,18)20-15-13(16)19-14(4,5)6/h7-8H,1-6H3,(H,15,16)
InChI Key: WVMDSNGINQNHLN-UHFFFAOYSA-N
Density: 1.191 g/cm3
LogP: 4.22850
GHS Hazard Statement: H302 (50%): 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
Publication Number Title Priority Date
US-2021292332-A1 Heterocyclic Adenosine Receptor Antagonists 20200316
WO-2021161084-A1 N-(4-fluorophenyl)-5-phenyl-[1,2,4] triazolo [1,5-a] pyridine-2-carboxamide derivatives and their synthesis thereof 20200216
WO-2021144439-A1 Quinoxaline derivatives 20200117
US-2021154179-A1 Substituted pyridines and methods of use 20191122
WO-2021102468-A1 Substituted 1,5-naphthyridines or quinolines as alk5 inhibitors 20191122
Complexity: 451
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 315.11404394
Formal Charge: 0
Heavy Atom Count: 21
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 315.11404394
Rotatable Bond Count: 5
Topological Polar Surface Area: 90.1 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.2
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