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694665

Sigma-Aldrich

1-(2-Tetrahydropyranyl)-1H-pyrazole

95%

Synonym(s):

1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole

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About This Item

Empirical Formula (Hill Notation):
C8H12N2O
CAS Number:
449758-17-2
Molecular Weight:
152.19
MDL number:
MFCD11044692
UNSPSC Code:
12352100
PubChem Substance ID:
329761675
NACRES:
NA.22
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Assay

95%

form

liquid

refractive index

n20/D 1.503

density

1.084 g/mL at 25 °C

functional group

ether

SMILES string

C1CCC(OC1)n2cccn2

InChI

1S/C8H12N2O/c1-2-7-11-8(4-1)10-6-3-5-9-10/h3,5-6,8H,1-2,4,7H2

InChI key

IMZWSOSYNFVECD-UHFFFAOYSA-N

Application

1-THP-protected 1H-pyrazole as the valuable starter for the preparation of pyrazolylboronic ester, which is useful in the synthesis of pyrazoloisoindoles and other pyrazole derivatives[1][2]

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

219.9 °F

Flash Point(C)

104.4 °C

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Certificates of Analysis (COA)

Lot/Batch Number
0000190875
0000092213
MKBH4900
MKBH1521
MKBF7386

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Mary Beth Young et al.
Journal of medicinal chemistry, 47(12), 2995-3008 (2004-05-28)
In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P(1) region. Various benzylamines were coupled to a pyridine/pyrazinone P(2)-P(3) template. One compound with an o-thiadiazole benzylic substitution was found
Tetrahedron Letters, 47, 4665-4665 (2006)

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