5-Hydroxybenzofuran-2(3H)-one

Base Information

• Chemical Name: 5-Hydroxybenzofuran-2(3H)-one
• CAS No.: 2688-48-4
• Molecular Formula: C8H6O3
• Molecular Weight: 150.134
• Hs Code.: 29163990
• European Community (EC) Number: 220-252-7
• NSC Number: 61996
• UNII: MG7CQ3NRA2
• DSSTox Substance ID: DTXSID00181388
• Nikkaji Number: J192.198C
• Wikidata: Q72466883
• ChEMBL ID: CHEMBL450556
• Mol file: 2688-48-4.mol

Synonyms:2688-48-4;5-Hydroxybenzofuran-2(3H)-one;Homogentisic Acid gamma-Lactone;5-Hydroxy-2-coumaranone;5-Hydroxy-2(3H)-benzofuranone;5-Hydroxybenzofuran-2-one;5-hydroxy-3H-1-benzofuran-2-one;2(3H)-Benzofuranone, 5-hydroxy-;2,3-Dihydro-5-hydroxybenzofuran-2-one;5-hydroxy-1-benzofuran-2(3H)-one;MG7CQ3NRA2;MLS002693363;EINECS 220-252-7;NSC-61996;5-hydroxy-2,3-dihydro-1-benzofuran-2-one;Homogentisic lactone;Homogentisic Acid Lactone;Homogentisic Acid?-Lactone;Homogentisic Acid |A-Lactone;NSC61996;NSC 61996;5-hydroxy-2-benzofuron;Homogenestic acid lactone;UNII-MG7CQ3NRA2;CHEMBL450556;SCHEMBL2460842;DTXSID00181388;2(3H)-Benzofuranone,5-hydroxy-;CHEBI:141343;HMS3080L12;MFCD00005857;STL558223;TD8103;AKOS000268404;CS-W018161;5-Hydroxy-2(3H)-benzofuranone, 97%;AS-59665;SMR001559319;2,5-Dihydroxyphenylacetic Acid gamma-Lactone;FT-0634444;H0630;A818651;J-016584

Chemical Property of 5-Hydroxybenzofuran-2(3H)-one

Chemical Property:

• Appearance/Colour: beige fine crystalline powder
• Vapor Pressure: 2.08E-05mmHg at 25°C
• Melting Point: 192-194 °C
• Refractive Index: 1.635
• Boiling Point: 351 °C at 760 mmHg
• PKA: 9.28±0.20(Predicted)
• Flash Point: 167.7 °C
• PSA: 46.53000
• Density: 1.436 g/cm³
• LogP: 0.85370
• Storage Temp.: Refrigerator
• Solubility.: Acetone, Ethyl Acetate, DMSO
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.031694049
• Heavy Atom Count: 11
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

HomogentisicAcidγ-Lactone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C=CC(=C2)O)OC1=O
• Uses: Homogentisic Acid γ-Lactone (cas# 2688-48-4) is a compound useful in organic synthesis.

Technology Process of 5-Hydroxybenzofuran-2(3H)-one

There total 14 articles about 5-Hydroxybenzofuran-2(3H)-one 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: 97.0%

(2,5-dimethoxyphenyl)acetic acid (1758-25-4) → 5-Hydroxy-2-coumaranone (2688-48-4)

Guidance literature:

With water; hydrogen bromide;

DOI:10.1021/np500772u

Reference yield: 78.0%

2-(N-methylanilino)benzofuran-5-ol (106551-22-8) → 5-Hydroxy-2-coumaranone (2688-48-4)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; for 5h; Ambient temperature;

Reference yield: 66.0%

5-methoxybenzofuran-2(3H)-one (2503-24-4) → 5-Hydroxy-2-coumaranone (2688-48-4)

Guidance literature:

With pyridine hydrochloride; at 180 - 190 ℃; for 3h;

DOI:10.1016/j.tet.2006.08.048

upstream raw materials:

ethyl 2-(2,5-dihydroxyphenyl)acetate

2-ethoxy-benzofuran-5-ol

homogentisic acid

(2,5-dimethoxyphenyl)acetic acid

Downstream raw materials:

homogentisic acid

2-benzothiazol-2-ylmethyl-benzene-1,4-diol

2′-(2,5-dihydrophenyl)ethanol

Homogentisinsaeureamid

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