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Merck
CN

166391

1-Formylpyrrolidine

97%

Synonym(s):

Pyrrolidine-1-carboxaldehyde

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About This Item

Empirical Formula (Hill Notation):
C5H9NO
CAS Number:
Molecular Weight:
99.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
223-175-7
Beilstein/REAXYS Number:
106540
MDL number:
Assay:
97%
Form:
liquid
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Quality Level

assay

97%

form

liquid

refractive index

n20/D 1.479 (lit.)

bp

92-94 °C/15 mmHg (lit.)

density

1.04 g/mL at 25 °C (lit.)

SMILES string

[H]C(=O)N1CCCC1

InChI

1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2

InChI key

AGRIQBHIKABLPJ-UHFFFAOYSA-N

General description

1-Formylpyrrolidine is the monomer constituent of gas clathrate inhibitor.

Application

1-Formylpyrrolidine was used in the synthesis of 1-oxa-3,4-dimethyl-5-(1-pyrrolldino)-2,2-di(tert-butyl)silacyclopentane and 1-oxa-4-isopropyl-5-(1-pyrrolidino)-2,2-di(tert-butyl)silacyclopentane.


Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

203.0 °F - closed cup

flash_point_c

95 °C - closed cup

ppe

Eyeshields, Gloves



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Marco Pallavicini et al.
Bioorganic & medicinal chemistry letters, 14(23), 5827-5830 (2004-10-27)
Homochiral E and Z isomers of N-methylprolinal O-isopropyloxime and (1-methyl-2-pyrrolidinyl)methoxyimines were synthesized as candidate bioisosteres of nicotine and its isoxazolic analogue ABT 418. Two of them, namely (S)-2-isopropylideneaminooxymethyl- and (Z)-(S)-2-ethylideneaminooxymethyl-1-methylpyrrolidine, proved to bind at alpha4beta2 nicotinic acetylcholine receptor with submicromolar
Y Tanaka et al.
Journal of medicinal chemistry, 37(13), 2071-2078 (1994-06-24)
New compounds were synthesized by structural modification of 1-[1-(4-phenylbutanoyl)-L-prolyl]-pyrrolidine (SUAM-1221, 1) or 1-[1-(benzyloxycarbonyl)-L-proly]prolinal (Z-Pro-prolinal,2) and were tested for in vitro inhibitory activities against purified prolyl endopeptidase (PEP) from canine brain. In a series of compounds which lack a formyl or
Computational studies of structure and dynamics of clathrate inhibitor monomers in solution.
Gomez G, et al.
Industrial & Engineering Chemistry Research, 46(1), 131-142 (2007)



Global Trade Item Number

SKUGTIN
166391-25G04061838118288