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Safety Information

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

634786-VAR:
634786-1G:
634786-BULK:
634786-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN2322
MKBJ6832V
MKBF7581V
MKBC2959
MKAA3470

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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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