5-Chlorobenzofuran-2(3H)-one

Base Information

• Chemical Name: 5-Chlorobenzofuran-2(3H)-one
• CAS No.: 28033-47-8
• Molecular Formula: C₈H₅ClO₂
• Molecular Weight: 168.579
• Hs Code.: 2932990090
• European Community (EC) Number: 608-160-9
• Nikkaji Number: J838.632C
• Mol file: 28033-47-8.mol

Synonyms:5-Chlorobenzofuran-2(3H)-one;28033-47-8;5-CHLORO-3H-1-BENZOFURAN-2-ONE;5-chloro-2,3-dihydro-2-benzofuranone;SCHEMBL6287157;5-chloro-2(3H)-Benzofuranone;PSVXTJFRMXQUCP-UHFFFAOYSA-N;MFCD25961853;AKOS024462893;AT27515;BS-16357;SY285548;5-chloro-2,3-dihydro-1-benzofuran-2-one;CS-0166883;A903710

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

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 88-89 °C
• Boiling Point: 294.4±29.0 °C(Predicted)
• Density: 1.428±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.9978071
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

5-Chlorobenzofuran-2(3H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=C(C=CC(=C2)Cl)OC1=O

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

There total 1 articles about 5-Chlorobenzofuran-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: 38.0%

4-Chlorophenoxyacetic acid (122-88-3) → benzofuran-2(3H)-one (553-86-6) + 5-chloro-2,3-dihydro-2-benzofuranone (28033-47-8) + 4-chloro-phenol (106-48-9,82344-39-6) + 2-phenoxyacetic acid (122-59-8) + phenol (108-95-2,27073-41-2)

Guidance literature:

With air; In water; for 7h; Product distribution; Ambient temperature; Irradiation; also under argon atmosphere; photodegradation pathways;

DOI:10.1021/jf960699l

Reference yield: 82.0%

5-chloro-2,3-dihydro-2-benzofuranone (28033-47-8) + buta-2,3-dienoic acid benzyl ester (187661-86-5) → benzyl (E)-4-(3-(4-(benzyloxy)-4-oxobut-1-en-2-yl)-5-chloro-2-oxo-2,3-dihydrobenzofuran-3-yl)but-2-enoate

Guidance literature:

With triphenylphosphine; In toluene; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.7b01482

Reference yield: 52.0%

5-chloro-2,3-dihydro-2-benzofuranone (28033-47-8) + diphenyldisulfane (882-33-7) → 3-Phenylthio-5-chloro-2-benzofuranone (256235-29-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 1h;

DOI:10.1016/S0022-1139(99)00179-7

upstream raw materials:

4-Chlorophenoxyacetic acid

Downstream raw materials:

N-Butyl-5-chlor-2-hydroxyphenylacetamid

3-Phenylthio-5-chloro-2-benzofuranone

5-chlorocoumaranedione-3-monoxime

α-amino-2-hydroxy-5-chlorophenylacetic acid

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