Benzofuran-2-carboxylic acid

  • Name: Benzofuran-2-carboxylic acid
  • CAS: 496-41-3
  • Purity: 99%
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Details

High Quality Chinese Manufacturer supply 496-41-3 Benzofuran-2-carboxylic acid

  • Molecular Formula: C9H6O3
  • Molecular Weight: 162.145
  • Appearance/Colour: white to light yellow crystal powder 
  • Vapor Pressure: 0mmHg at 25°C 
  • Melting Point: 193-196 °C(lit.) 
  • Refractive Index: 1.649 
  • Boiling Point: 313.379 °C at 760 mmHg 
  • PKA: 3.12±0.30(Predicted) 
  • Flash Point: 143.327 °C 
  • PSA: 50.44000 
  • Density: 1.364 g/cm3 
  • LogP: 2.13100 

Benzofuran-2-carboxylic acid(Cas 496-41-3) Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 73, p. 872, 1951 DOI: 10.1021/ja01146a532Organic Syntheses, Coll. Vol. 3, p. 209, 1955

Purification Methods

The acid crystallises from water. [Beilstein 18/6 V 419.]

InChI:InChI=1/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)

496-41-3 Relevant articles

Palladium-Catalyzed C?H Functionalization of Phenyl 2-Pyridylsulfonates

Li, Bin,Guo, Dong-Dong,Guo, Shi-Huan,Pan, Gao-Fei,Gao, Ya-Ru,Wang, Yong-Qiang

, p. 130 - 144 (2017)

An efficient palladium(II)-catalyzed int...

1,4-Addition of an aryllithium reagent to diethyl ketomalonate. Scalable synthesis of ethyl 1-(hydroxymethyl)-1,3-dihydroisobenzofuran-1-carboxylate

Rocke, Benjamin N.,Conn, Edward L.,Eisenbeis, Shane A.,Ruggeri, Roger B.

, p. 5467 - 5470 (2012)

While optimizing the synthesis of pharma...

Oxidative Cleavage of β -Keto Sulfones via Nitrous Acid

Abdel-Aziz, Hatem A.

, (2014)

The reaction of nitrous acid with 1-aryl...

Synthesis and biological evaluation of a series of novel benzofuran-2-carboxylate 1,2,3-triazoles

Bhaskar, K.,Yadav, J. S.

, p. 767 - 774 (2021/09/28)

A facile and efficient synthetic route h...

Investigation of the effect of different linker chemotypes on the inhibition of histone deacetylases (HDACs)

Linciano, Pasquale,Benedetti, Rosaria,Pinzi, Luca,Russo, Fabiana,Chianese, Ugo,Sorbi, Claudia,Altucci, Lucia,Rastelli, Giulio,Brasili, Livio,Franchini, Silvia

, (2020/11/24)

Histone Deacetylases (HDACs) are among t...

Synthesis and biological evaluation of novel shikonin-benzo[b]furan derivatives as tubulin polymerization inhibitors targeting the colchicine binding site

Kong, Ling-Yi,Leng, Jia-Fu,Lian, Bao-Ping,Shao, Yu-Ying,Xia, Yuan-Zheng,Yin, Yong

, (2020/02/11)

A novel series of shikonin-benzo[b]furan...

Redox-Neutral Photocatalytic C?H Carboxylation of Arenes and Styrenes with CO2

Bergonzini, Giulia,Brandt, Peter,Fricke, Florian,Johansson, Magnus J.,K?nig, Burkhard,Schmalzbauer, Matthias,Svejstrup, Thomas D.

supporting information, p. 2658 - 2672 (2020/10/07)

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496-41-3 Process route

ethyl coumarilate
3199-61-9

ethyl coumarilate

Benzofuran-2-carboxylic acid
496-41-3

Benzofuran-2-carboxylic acid

Conditions
Conditions Yield
With potassium hydroxide; In ethanol; water; for 2h; Reflux;
85%
With potassium hydroxide; In ethanol;
82%
With potassium hydroxide; for 1h; Yield given; Heating;
With sodium hydroxide; at 20 ℃;
With water; sodium hydroxide; In methanol; for 0.5h; Heating;
With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water; at 20 ℃; for 18h;
With sodium hydroxide; In water; N,N-dimethyl-formamide; at 60 ℃; for 0.5h;
With water; for 1h; Reflux;
800 mg
ethyl coumarilate; With water; sodium hydroxide; In ethanol; for 1h; Heating;
With hydrogenchloride; In ethanol; water; pH=1;
1-(benzo[b]furan-2-yl)ethanone
1646-26-0

1-(benzo[b]furan-2-yl)ethanone

Benzofuran-2-carboxylic acid
496-41-3

Benzofuran-2-carboxylic acid

Conditions
Conditions Yield
With Oxone; trifluoroacetic acid; In 1,4-dioxane; for 10h; Reflux; Green chemistry;
80%
With potassium permanganate;
With alkaline aqueous sodium hypochlorite solution;

496-41-3 Upstream products

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    54008-77-4

    2-bromo-1-benzofuran

  • 59214-70-9
    59214-70-9

    3-bromobenzofuran

  • 109-72-8
    109-72-8

    n-butyllithium

  • 60-29-7
    60-29-7

    diethyl ether

496-41-3 Downstream products

  • 1646-27-1
    1646-27-1

    methyl benzofuran-2-carboxylate

  • 3199-61-9
    3199-61-9

    ethyl coumarilate

  • 5396-02-1
    5396-02-1

    3-phenyl-2,3-dihydro-benzofuran-2-carboxylic acid

  • 271-89-6
    271-89-6

    1-benzofurane