2-(Benzofuran-3-yl)acetic acid

Base Information

• Chemical Name: 2-(Benzofuran-3-yl)acetic acid
• CAS No.: 64175-51-5
• Molecular Formula: C10H8O3
• Molecular Weight: 176.172
• Hs Code.: 2932999099
• European Community (EC) Number: 800-122-1
• DSSTox Substance ID: DTXSID40376594
• Nikkaji Number: J1.158.915D
• Wikidata: Q72445483
• Mol file: 64175-51-5.mol

Synonyms:2-(benzofuran-3-yl)acetic acid;64175-51-5;3-Benzofuranacetic acid;BENZO[B]FURAN-3-YLACETIC ACID;2-(1-benzofuran-3-yl)acetic acid;benzofuran-3-acetic acid;benzofuran-3-yl-acetic acid;benzofuran-3-ylacetic acid;2-(1-benzofuran-3-yl)ethanoic acid;MFCD04114279;1-benzofuran-3-yl acetic acid;2-(3-benzofuranyl)acetic acid;SCHEMBL1027115;DTXSID40376594;CHEBI:194611;QWMVFCMIUUHJDH-UHFFFAOYSA-N;2-(1-benzouran-3-yl)acetic acid;BCP32342;3-benzofuranacetic acid, AldrichCPR;AKOS006229963;AM85861;FS-3384;PB47492;SY045626;FT-0640933;EN300-08022;A834664;J-506223;2-(Benzofuran-3-yl)acetic acid;F8889-0345;Z119989454;MQB

Chemical Property of 2-(Benzofuran-3-yl)acetic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 90 °C
• Refractive Index: 1.628
• Boiling Point: 331.086 °C at 760 mmHg
• PKA: 4.16±0.30(Predicted)
• Flash Point: 154.036 °C
• PSA: 50.44000
• Density: 1.317 g/cm³
• LogP: 2.05990
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 176.047344113
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Benzofuran-3-yl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-36
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CO2)CC(=O)O

Technology Process of 2-(Benzofuran-3-yl)acetic acid

There total 38 articles about 2-(Benzofuran-3-yl)acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

methyl 2-(benzofuran-3-yl)acetate (26278-23-9) → 2-(3-benzofuranyl)acetic acid (64175-51-5)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jo802205d

Reference yield: 98.0%

benzofuran-3-yl-acetic acid ethyl ester (82156-58-9) → 2-(3-benzofuranyl)acetic acid (64175-51-5)

Guidance literature:

With potassium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1021/jm060631p

Reference yield: 80.0%

4-bromomethyl-2H-chromen-2-one (82156-55-6) → 2-(3-benzofuranyl)acetic acid (64175-51-5)

Guidance literature:

With sodium hydroxide; In water; Reflux;

DOI:10.1080/00397911.2015.1068943

upstream raw materials:

2-(benzofuran-3-yl)acetamide

1-benzofuran-3-yl-2-diazo-ethanone

(2-bromo-benzofuran-3-yl)-acetic acid

3-oxo-2,3-dihydrobenzo[b]furan

Downstream raw materials:

benzofuran-3-yl-acetic acid ethyl ester

1-benzofuran-3-carbaldehyde

2-(benzofuran-3-yl)ethan-1-ol

2-(2-hydroxyphenyl)anthraquinone

Refernces

• 1、 Basanagouda, Mahantesha,Narayanachar,Majati, Iranna B.,Mulimani, Shiddappa S.,Sunnal, Satish B.,Nadiger, Rohit V.,Ghanti, Ashok S.,Gudageri, Siddeshwar F.,Naik, Ravi,Nayak, Akshata. "Efficient and Convenient Method for Synthesis of Benzofuran-3-acetic Acids and Naphthafuran-acetic Acids". supporting information. p. 2195 - 2202. Retrieved 2015/09/22.
• 2、 Kaila, Neelu,Janz, Kristin,Huang, Adrian,Moretto, Alessandro,DeBernardo, Silvano,Bedard, Patricia W.,Tam, Steve,Clerin, Valerie,Keith Jr., James C.,Tsao, Desirée H.H.,Sushkova, Natalia,Shaw, Gray D.,Camphausen, Raymond T.,Schaub, Robert G.,Wang, Qin. "2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H] quinoline-4-carboxylic acid (PSI-697): Identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists". . p. 40 - 64. Retrieved 2007/10/03.