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40199

Sigma-Aldrich

Methyl tetrahydro-2H-pyran-4-carboxylate

produced by BASF, ≥98.0% (GC)

Synonym(s):

THPE

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About This Item

Empirical Formula (Hill Notation):
C7H12O3
CAS Number:
110238-91-0
Molecular Weight:
144.17
Beilstein/REAXYS Number:
114974
MDL number:
MFCD01075170
UNSPSC Code:
12352100
PubChem Substance ID:
57649929
NACRES:
NA.22

grade

produced by BASF

Quality Level

100

assay

≥98.0% (GC)

form

liquid

density

1.080 g/mL at 20 °C (lit.)

functional group

ester
ether

SMILES string

COC(=O)C1CCOCC1

InChI

1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3

InChI key

CNCMVGXVKBJYNU-UHFFFAOYSA-N

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Application

Methyl tetrahydro-2H-pyran-4-carboxylate may be used in the following syntheses:
  • cycloalkylamide derivatives
  • tetrahydro-2-furoic chloride
  • tetrahydro-2H-pyran-4-carboxylic chloride

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

Hazard Classifications

Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

186.8 °F - closed cup

flash_point_c

86.0 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
1446324V
BCBC3225V
BCBD0952V
BCBC3225
1446324

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In-Hae Kim et al.
Journal of medicinal chemistry, 54(6), 1752-1761 (2011-02-23)
Structure-activity relationships of cycloalkylamide compounds as inhibitors of human sEH were investigated. When the left side of amide function was modified by a variety of cycloalkanes, at least a C6 like cyclohexane was necessary to yield reasonable inhibition potency on

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