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634786

Sigma-Aldrich

(S)-(+)-N-Boc-3-pyrrolidinol

97%

Synonym(s):

(S)-N-(tert-Butoxycarbonyl)-(+)-3-pyrrolidinol

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About This Item

Empirical Formula (Hill Notation):
C9H17NO3
CAS Number:
101469-92-5
Molecular Weight:
187.24
MDL number:
MFCD01317839
UNSPSC Code:
12352005
PubChem Substance ID:
24882649
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

optical activity

[α]20/D +26°, c = 1% in methanol

mp

60-64 °C (lit.)

functional group

hydroxyl

SMILES string

CC(C)(C)OC(=O)N1CC[C@H](O)C1

InChI

1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3/t7-/m0/s1

InChI key

APCBTRDHCDOPNY-ZETCQYMHSA-N

Related Categories

Application

(S)-(+)-N-Boc-3-pyrrolidinol can be used as a reactant to synthesize:
  • tert-Butyl 3-(2-bromophenoxy)pyrrolidine-1-carboxylate, which is employed as a key intermediate in the preparation of IkB-kinase IKK2 inhibitor.
  • Dimethoxy-pyrrolidylquinazoline , and peptidomimetic quinoline derivatives.

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H301,H315,H318,H335

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN2322
MKBJ6832V
MKBF7581V
MKBC2959
MKAA3470

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Thomas A Chappie et al.
Journal of medicinal chemistry, 50(2), 182-185 (2007-01-19)
A papaverine based pharmacophore model for PDE10A inhibition was generated via SBDD and used to design a library of 4-amino-6,7-dimethoxyquinazolines. From this library emerged an aryl ether pyrrolidyl 6,7-dimethoxyquinazoline series that became the focal point for additional modeling, X-ray, and
Discovery of selective irreversible inhibitors for Bruton?s tyrosine kinase
P Zhengying, et al.
ChemMedChem, 2(1), 58-61 (2007)
Exploiting the Differential Reactivities of Halogen Atoms: Development of a Scalable Route to IKK2 Inhibitor AZD3264
Murugan A, et al.
Organic Process Research & Development, 18(5), 646-651 (2014)
Erik A A Wallén et al.
Journal of medicinal chemistry, 46(21), 4543-4551 (2003-10-03)
Isophthalic acid bis(l-prolyl-pyrrolidine) amide is a very potent prolyl oligopeptidase inhibitor, but it has a log P value of -0.2, which is very low for a compound targeted to the brain. Therefore, these types of compounds were further modified to

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