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417823

Sigma-Aldrich

4-Chloro-2-(1H-pyrazol-3-yl)phenol

98%

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About This Item

Empirical Formula (Hill Notation):
C9H7ClN2O
CAS Number:
18704-67-1
Molecular Weight:
194.62
EC Number:
242-516-0
MDL number:
MFCD00209566
UNSPSC Code:
12352100
PubChem Substance ID:
24866183
NACRES:
NA.22

Assay

98%

mp

155-158 °C (lit.)

functional group

chloro

SMILES string

Oc1ccc(Cl)cc1-c2cc[nH]n2

InChI

1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)

InChI key

DMGLUMYOLOAXJY-UHFFFAOYSA-N

General description

4-Chloro-2-(1H-pyrazol-3-yl)phenol undergoes Mannich reaction with N,N′-bis(methoxymethyl)diaza-18-crown-6 to afford NCH2N-linked bis(3-(5-chloro-2-hydroxy)pyrazol-1-ylmethyl)-substituted diazacrown ether (98% yield).

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBZ9975V
17016MI
06417KU
01004BS
00510KG

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Ning Su et al.
The Journal of organic chemistry, 64(24), 8855-8861 (2001-10-25)
Ten new 8-hydroxyquinoline-containing diaza-18-crown-6 ligands and analogues were synthesized via a one-pot or stepwise Mannich reaction, reductive amination, or by reacting diaza-18-crown-6 with 5,7-dichloro-2-iodomethyl-8-quinolinol in the presence of N,N-diisopropylethylamine. The Mannich reaction of N,N'-bis(methoxymethyl)diaza-18-crown-6 with 4-chloro-2-(1H-pyrazol-3-yl)phenol gave the NCH(2)N-linked bis(3-(5-chloro-2-hydroxy)pyrazol-1-ylmethyl)-substituted

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