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Merck
CN

779725

Sigma-Aldrich

(R)-1-Boc-3-cyanopyrrolidine

96%

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About This Item

Empirical Formula (Hill Notation):
C10H16N2O2
CAS Number:
132945-76-7
Molecular Weight:
196.25
Beilstein:
8683216
MDL number:
MFCD05863904
UNSPSC Code:
12352005
PubChem Substance ID:
329768063
NACRES:
NA.22

Key Documents

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Assay

≥95.5% (HPLC)
96%

form

solid

optical activity

[α]/D -21.0±2.0°, c = 1 in methanol

functional group

nitrile

SMILES string

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

InChI

1S/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m0/s1

InChI key

VDDMCMFPUSCJNA-QMMMGPOBSA-N

Application

(R)-1-Boc-3-cyanopyrrolidine can be used as a key intermediate in the synthesis of a β-proline analog named (3R)-carboxy pyrrolidine.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBD7232V
BCBD7232
XXX

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Synthesis of (3R)-carboxy pyrrolidine (a beta-proline analogue) and its oligomer
Kim Y, et al.
Bioorganic & Medicinal Chemistry Letters, 10(21), 2417-2419 (2000)

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