ChemicalBook--->CAS DataBase List--->7169-34-8

7169-34-8

7169-34-8 Structure

7169-34-8 Structure
IdentificationMore
[Name]

3-COUMARANONE
[CAS]

7169-34-8
[Synonyms]

2,3-DIHYDROBENZO[B]FURAN-3-ONE
3(2H)-BENZOFURANONE
3-COUMARANONE
BENZOFURAN-3(2H)-ONE
BENZOFURAN-3(2H)-ONE, 3-COUMARANONE
BENZOFURAN-3-ONE
COUMARANONE
3-Coumaranone(3(2H)-Benzofuranone)
(2H)-Benzofuran-3-one
2,3-dihydro-1-benzofuran-3-one
Coumaran-3-one
2,3-Dihydrobenzofuran-3-one
3-Oxocoumaran
[EINECS(EC#)]

640-279-1
[Molecular Formula]

C8H6O2
[MDL Number]

MFCD00051810
[Molecular Weight]

134.13
[MOL File]

7169-34-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

101-103 °C
[Boiling point ]

207.23°C (rough estimate)
[density ]

1.1603 (rough estimate)
[refractive index ]

1.4800 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Store in freezer, under -20°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Solid
[color ]

Yellow to Dark Yellow
[Water Solubility ]

Slightly miscible with water.
[Sensitive ]

Light Sensitive
[BRN ]

115296
[InChI]

InChI=1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
[InChIKey]

MGKPCLNUSDGXGT-UHFFFAOYSA-N
[SMILES]

O1C2=CC=CC=C2C(=O)C1
[CAS DataBase Reference]

7169-34-8(CAS DataBase Reference)
[NIST Chemistry Reference]

3(2H)-benzofuranone(7169-34-8)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[F ]

4.5-9
[Hazard Note ]

Irritant
[HS Code ]

29329990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Methanol-->Tetrahydrofuran-->Acetic acid-->N,N-Dimethylformamide-->Potassium carbonate-->Chloroform-->Bromine-->Magnesium sulfate-->Acetic anhydride-->Acetone-->Sodium acetate-->Ethyl bromoacetate-->2'-Hydroxyacetophenone-->Methyl salicylate
[Preparation Products]

Benzofuran-2-boronic acid-->Benzo[4,5]furo[3,2-b]quinoline-11-carboxylic acid
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

3-Coumaranone is used in the aurones, [2-benzylidenebenzofuran-3(2H)-ones] by reacting with appropriate aldehyde. It is involved in the condensation reaction with aldehydes in the presence of morpholine acetate to prepare substituted 2-(arylidene)benzofuran-3(ZH)-ones. In Horner-Wadsworth-Emmons reaction, it reacts with diethyl? cyanomethyl?phosphonate to give 3-(cyanomethyl)benzofurans, which is an intermediate in the synthesis of antihyperglycemic agents.
[General Description]

Benzofuran-3(2H)-one undergoes condensation with aldehydes in the presence of morpholine acetate to yield substituted 2-(arylidene)benzofuran-3(ZH)-ones. It undergoes acid- or base-catalyzed condensation with an appropriate aldehyde to yield aurones [2-benzylidenebenzofuran-3(2H)-ones].
[Synthesis]

At room temperature and pressure, 0.2 mmol of 2-ethynylphenol was dissolved in 1 mL of dichloromethane to obtain a dichloromethane solution of 2-ethynylphenol; then 0.01 mmol of mercury trifluoromethanesulfonate and 0.24 mmol of pyridine-N-oxide were adde
Spectrum DetailBack Directory
[Spectrum Detail]

3-COUMARANONE(7169-34-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Coumaranone, 97%(7169-34-8)
[Sigma Aldrich]

7169-34-8(sigmaaldrich)
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