What is the 2-Coumaranone?

2-Coumaranone is white to light yellow crystalline powder, while it's Molecular Formula is C8H6O2. white to light yellow crystalline powder 2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland. It was employed as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures.

What is the CAS number for 2-Coumaranone?

The CAS number of 2-Coumaranone is 553-86-6.

What is 2-Coumaranone (553-86-6) used for?

2-Coumaranone (also named as Isophthalide, 3H-benzofuran-2-one) belongs to a class of organic compounds named as benzofuranones which exhibits mutagenic and carcinogenic activity. 2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland and as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures.InChI:InChI=1/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2

What is the 2-Coumaranone?

2-Coumaranone is white to light yellow crystalline powder, while it's Molecular Formula is C8H6O2. white to light yellow crystalline powder 2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland. It was employed as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures.

What is the CAS number for 2-Coumaranone?

The CAS number of 2-Coumaranone is 553-86-6.

What is 2-Coumaranone (553-86-6) used for?

2-Coumaranone (also named as Isophthalide, 3H-benzofuran-2-one) belongs to a class of organic compounds named as benzofuranones which exhibits mutagenic and carcinogenic activity. 2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland and as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures.InChI:InChI=1/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2

2-COUMARANONE

CAS：553-86-6
MF：C₈H₆O₂
Purity：99%
Molecular Weight：134.134

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Product Details

CAS： 553-86-6

MF： C₈H₆O₂

Appearance： white to light yellow crystalline powder

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Molecular Formula:C8H6O2
Molecular Weight:134.134
Appearance/Colour:white to light yellow crystalline powder
Vapor Pressure:0.0235mmHg at 25°C
Melting Point:49-51 °C(lit.)
Refractive Index:1.585
Boiling Point:249 °C at 760 mmHg
Flash Point:96.9 °C
PSA：26.30000
Density:1.264 g/cm³
LogP:1.14810

2-Coumaranone(Cas 553-86-6) Usage

Reference	Y. S. Priya, K. Ramachandra Rao, P. V. Chalapathi, M. Satyavani, A. Veeraiah, Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations, Journal of Molecular Structure, 2017, vol. 1144, pp. 535-544
Synthesis Reference(s)	The Journal of Organic Chemistry, 47, p. 2491, 1982 DOI: 10.1021/jo00133a055

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

553-86-6 Relevant articles

-

Ghose et al.

, p. 95 (1954)

Contribution of microwaves in organic synthesis: Statement of a methodology for the microwave-induced preparation of benzofuran-2(3H)-one and its comparison with classical heating

Goncalo, Paulo,Roussel, Christophe,Melot, Jean Marie,Vebrel, Joel

, p. 2111 - 2115 (1999)

The intramolecular cyclisation of 2-hydr...

-

Baciocchi et al.

, p. 32 (1979)

Palladium-catalyzed carbonylative synthesis of benzofuran-2(3H)-ones from 2-hydroxybenzyl alcohols using formic acid as the CO source

Li, Hao-Peng,Ai, Han-Jun,Qi, Xinxin,Peng, Jin-Bao,Wu, Xiao-Feng

, p. 1343 - 1345 (2017)

A palladium-catalyzed carbonylative intr...

Pd(II)-catalyzed ortho -C-H oxidation of arylacetic acid derivatives: Synthesis of benzofuranones

Rit, Raja K.,Yadav, M. Ramu,Sahoo, Akhila K.

, p. 968 - 971 (2014)

Pd(II)-catalyzed ortho-C-H acetoxylation...

Regioselective Synthesis of Benzofuranones and Benzofurans

Zhang, Xiaojie,Beaudry, Christopher M.

supporting information, p. 6931 - 6936 (2021/05/06)

Reaction of 3-hydroxy-2-pyrones with nit...

Exploring the Electronic Properties of Extended Benzofuran-Cyanovinyl Derivatives Obtained from Lignocellulosic and Carbohydrate Platforms Raw Materials

Ibrahim, Nagham,Moussallem, Chady,Allain, Magali,Segut, Olivier,Gohier, Frédéric,Frère, Pierre

, p. 475 - 482 (2021/03/31)

Two series of linear extended benzofuran...

Method for improving conversion rate of azoxystrobin

-

Paragraph 0066-0069, (2021/03/31)

The invention discloses a method for imp...

Synthetic method of benzofuranone

-

, (2020/06/16)

The invention provides a synthetic metho...

553-86-6 Process route

: (2-benzyloxyphenyl)acetic acid cyclohexylmethyl ester

: 553-86-6
benzofuran-2(3H)-one

: 100-49-2
cyclohexylmethyl alcohol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: palladium on activated charcoal; hydrogen / ethanol / 20 °C / Inert atmosphere 2: N,N,N',N'-tetramethyl-1,8-diaminonaphthalene / 80 °C / Inert atmosphere With palladium on activated charcoal; hydrogen; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; In ethanol;