ChemicalBook > CAS DataBase List > 6,7-Dihydro-4(5H)-benzofuranone

6,7-Dihydro-4(5H)-benzofuranone

Product Name
6,7-Dihydro-4(5H)-benzofuranone
CAS No.
16806-93-2
Chemical Name
6,7-Dihydro-4(5H)-benzofuranone
Synonyms
6,7-dihydrobenzofuran-4(5H)-one;6,7-Dihydro-4(5H)-be;7-Dihydro-4(5H)-benzofuranone;2,3-Dihydro-4(5H)-benzofuranone;6,7-DIHYDRO-4(5H)-BENZOFURANONE;6,7-dihydro-5H-benzofuran-4-one;4(5H)-Benzofuranone,6,7-dihydro-;6,7-dihydro-5H-1-benzofuran-4-one;6,7-DIHYDRO-1-BENZOFURAN-4(5H)-ONE;4-oxo-4,5,6,7-tetrahydrobenzofuran
CBNumber
CB7753154
Molecular Formula
C8H8O2
Formula Weight
136.15
MOL File
16806-93-2.mol
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6,7-Dihydro-4(5H)-benzofuranone Property

Melting point:
30-34 °C (lit.)
Boiling point:
115-118 °C/16 mmHg (lit.)
Density 
1.162 g/mL at 25 °C (lit.)
refractive index 
1.53-1.532
Flash point:
>230 °F
storage temp. 
Sealed in dry,Store in freezer, under -20°C
form 
Liquid
Specific Gravity
1.162
color 
Clear yellow to brown
InChI
InChI=1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChIKey
DXWQOYPYNPSVRL-UHFFFAOYSA-N
SMILES
O1C2CCCC(=O)C=2C=C1
CAS DataBase Reference
16806-93-2(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
37/39-26
WGK Germany 
3
HS Code 
29143900
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
476773
Product name
6,7-Dihydro-4(5H)-benzofuranone
Purity
98%
Packaging
5g
Price
$149
Updated
2023/06/20
TRC
Product number
D452065
Product name
6,7-Dihydro-4(5H)-benzofuranone
Packaging
10mg
Price
$45
Updated
2021/12/16
Ark Pharm
Product number
AK-63547
Product name
6,7-Dihydrobenzofuran-4(5H)-one
Purity
98%
Packaging
250mg
Price
$7
Updated
2021/12/16
Biosynth Carbosynth
Product number
FD02000
Product name
6,7-Dihydro-4(5H)-benzofuranone
Packaging
2g
Price
$66
Updated
2021/12/16
Biosynth Carbosynth
Product number
FD02000
Product name
6,7-Dihydro-4(5H)-benzofuranone
Packaging
5G
Price
$125
Updated
2021/12/16
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6,7-Dihydro-4(5H)-benzofuranone Chemical Properties,Usage,Production

Chemical Properties

clear yellow to brown low melting solid or liquid

Uses

6,7-Dihydro-4(5H)-benzofuranone may be used in the synthesis of furacridone ring skeleton.

Definition

ChEBI: 6,7-Dihydro-4(5H)-benzofuranone is a member of benzofurans.

Synthesis Reference(s)

Tetrahedron, 51, p. 3087, 1995 DOI: 10.1016/0040-4020(95)00070-O
Tetrahedron Letters, 27, p. 1127, 1986 DOI: 10.1016/S0040-4039(00)84195-7

General Description

6,7-Dihydro-4(5H)-benzofuranone is a benzofuran derivative that consists of fused benzene and furan ring. Its standard molar enthalpy of formation by static bomb calorimetry and standard molar enthalpy of vaporization using Calvet microcalorimetry has been measured. These values have been used to derive the standard molar enthalpy of formation in gaseous phase.

Synthesis

107-20-0

504-02-9

16806-93-2

Under argon protection, 1,3-cyclohexanedione (20.71 g, 0.18 mol) was dissolved in methanol (100 mL) and the solution was cooled to 0 °C. Subsequently, potassium hydroxide (12.2 g, 0.18 mol) was added to the solution and stirred continuously for 30 minutes at 0 °C. Next, 50% aqueous chloroacetaldehyde solution (26.3 mL, 0.203 mol) was slowly added. The reaction mixture was stirred overnight at room temperature. Upon completion of the reaction, the solution was acidified to pH < 7 with 1N hydrochloric acid and then extracted with ethyl acetate. The organic layers were combined, washed sequentially with water and saturated saline, and dried over anhydrous magnesium sulfate. Finally, the solvent was removed by concentration under reduced pressure to give the crude 6,7-dihydro-4(5H)-benzofuranone product (16.5 g), which was pure enough to be used directly in the next step of the reaction.

References

[1] Arkivoc, 2011, vol. 2011, # 9, p. 1 - 14
[2] Heterocycles, 2004, vol. 62, p. 807 - 813
[3] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 4, p. 1966 - 1982
[4] Journal of Organic Chemistry, 1988, vol. 53, # 17, p. 4135 - 4137
[5] Chemical and Pharmaceutical Bulletin, 1994, vol. 42, # 10, p. 2167 - 2169

6,7-Dihydro-4(5H)-benzofuranone Preparation Products And Raw materials

Raw materials

Preparation Products

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6,7-Dihydro-4(5H)-benzofuranone Suppliers

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View Lastest Price from 6,7-Dihydro-4(5H)-benzofuranone manufacturers

Henan Aochuang Chemical Co.,Ltd.
Product
6,7-Dihydro-4(5H)-benzofuranone 16806-93-2
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-09-27
Hebei Chuanghai Biotechnology Co,.LTD
Product
6,7-Dihydro-4(5H)-benzofuranone 16806-93-2
Price
US $9.00/KG
Min. Order
1KG
Purity
99.8%
Supply Ability
100tons
Release date
2024-08-23
Zibo Hangyu Biotechnology Development Co., Ltd
Product
6,7-Dihydro-4(5H)-benzofuranone 16806-93-2
Price
US $80.00-800.00/kg
Min. Order
10kg
Purity
0.99
Supply Ability
20tons
Release date
2023-11-13

16806-93-2, 6,7-Dihydro-4(5H)-benzofuranoneRelated Search:

2,3-Dihydrobenzofuran Benzofuran 5-Bromo-1-benzofuran Tetrahydrofuran Furazolidone Dibenzofuran POLY(TETRAHYDROFURAN) STANDARD 15000 4-OXO-4,5,6,7-TETRAHYDROBENZO[B]FURAN-3-CARBOXYLIC ACID 6,6-DIMETHYL-6,7-DIHYDRO-1-BENZOFURAN-4(5H)-ONE 3-ACETYL-2,6,6-TRIMETHYL-5,6,7-TRIHYDROOXAINDEN-4-ONE 6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-3-CARBOXYLIC ACID (2,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-BENZOFURAN-3-YL)-ACETIC ACID 6,7-Dihydro-4(5H)-benzofuranone TOSLAB 775839 3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER 4-BROMO-N-(4-CHLORO-9-OXO-6,7,8,9-TETRAHYDRODIBENZO[B,D]FURAN-2-YL)BENZENESULFONAMIDE TOSLAB 797821 2-METHYL-N-(9-OXO-6,7,8,9-TETRAHYDRODIBENZO[B,D]FURAN-2-YL)BENZENESULFONAMIDE

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