CAS 86953-79-9 | tert-Butyl pyrrolidine-1-carboxylate | CAS Number 86953-79-9

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86953-79-9 | tert-Butyl pyrrolidine-1-carboxylate

CAS No: 86953-79-9 Catalog No: AG003E2D MDL No:MFCD00216581

Product Description

Catalog Number:

AG003E2D

Chemical Name:

tert-Butyl pyrrolidine-1-carboxylate

CAS Number:

86953-79-9

Molecular Formula:

C9H17NO2

Molecular Weight:

171.2368

MDL Number:

MFCD00216581

IUPAC Name:

tert-butyl pyrrolidine-1-carboxylate

InChI:

InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H2,1-3H3

InChI Key:

LPQZERIRKRYGGM-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC1)OC(C)(C)C

Properties

Complexity:

166

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.24g/mol

Monoisotopic Mass:

171.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Ambient temperature zincation of N-Boc pyrrolidine and its solvent dependency.	Chemical communications (Cambridge, England) 20120528
Silyl fluoride electrophiles for the enantioselective synthesis of silylated pyrrolidine catalysts.	The Journal of organic chemistry 20110902
Enantioselective, palladium-catalyzed α-arylation of N-Boc pyrrolidine: in situ react IR spectroscopic monitoring, scope, and synthetic applications.	The Journal of organic chemistry 20110805
Asymmetric deprotonation using s-BuLi or i-PrLi and chiral diamines in THF: the diamine matters.	Journal of the American Chemical Society 20101103
Regioselective and stereoselective copper(I)-promoted allylation and conjugate addition of N-Boc-2-lithiopyrrolidine and N-Boc-2-lithiopiperidine.	The Journal of organic chemistry 20100618
Catalytic asymmetric synthesis of piperidines from pyrrolidine: concise synthesis of L-733,060.	Organic letters 20090507
Solution-phase parallel synthesis of Hsp90 inhibitors.	Journal of combinatorial chemistry 20090101
The first example of enamine-Lewis acid cooperative bifunctional catalysis: application to the asymmetric aldol reaction.	Chemical communications (Cambridge, England) 20080907
On the two-ligand catalytic asymmetric deprotonation of N-boc pyrrolidine: probing the effect of the stoichiometric ligand.	The Journal of organic chemistry 20080815
Enantioselective Pd-catalyzed alpha-arylation of N-Boc-pyrrolidine: the key to an efficient and practical synthesis of a glucokinase activator.	The Journal of organic chemistry 20080704
A new sparteine surrogate for asymmetric deprotonation of N-Boc pyrrolidine.	Organic letters 20080403
Asymmetric lithiation-substitution of amines involving rearrangement of borates.	Organic letters 20080103
A (-)-sparteine-directed highly enantioselective synthesis of boroproline. Solid- and solution-state structure and properties.	The Journal of organic chemistry 20070803
Dynamic thermodynamic and dynamic kinetic resolution of 2-lithiopyrrolidines.	Journal of the American Chemical Society 20060823
Asymmetric synthesis of enantioenriched (+)-elaeokanine A.	The Journal of organic chemistry 20060721
Reactivity series for s-BuLi/diamine-mediated lithiation of N-Boc pyrrolidine: applications in catalysis and lithiation of N-Boc piperidine.	Chemical communications (Cambridge, England) 20060628
Enantioselective, palladium-catalyzed alpha-arylation of N-Boc-pyrrolidine.	Journal of the American Chemical Society 20060322
Dynamic kinetic resolution of N-Boc-2-lithiopyrrolidine.	Chemical communications (Cambridge, England) 20050628
Is the A-ring of sparteine essential for high enantioselectivity in the asymmetric lithiation-substitution of N-Boc-pyrrolidine?	Journal of the American Chemical Society 20041201
An experimental and computational study of the enantioselective lithiation of N-Boc-pyrrolidine using sparteine-like chiral diamines.	Journal of the American Chemical Society 20041201
Synthesis of (-)-(R)-pyrrolam a and studies on its stability: a caveat on computational methods.	The Journal of organic chemistry 20040903
Synthesis of methylphenidate analogues and their binding affinities at dopamine and serotonin transport sites.	Bioorganic & medicinal chemistry letters 20040405
Synthesis of sparteine-like chiral diamines and evaluation in the enantioselective lithiation-substitution of N-(tert-butoxycarbonyl)pyrrolidine.	Organic & biomolecular chemistry 20031121
Conformational control of flexible molecules: design and synthesis of novel chiral 1,5-diaza-cis-decalins.	The Journal of organic chemistry 20020503
An experimental and computational investigation of the enantioselective deprotonation of Boc-piperidine.	Journal of the American Chemical Society 20020306
Chiral diamines 4: a computational study of the enantioselective deprotonation of Boc-pyrrolidine with an alkyllithium in the presence of a chiral diamine.	Journal of the American Chemical Society 20010829