6-chloro-3-phenyl-2H-chromen-2-one

Base Information

• Chemical Name: 6-chloro-3-phenyl-2H-chromen-2-one
• CAS No.: 88039-96-7
• Molecular Formula: C15H9ClO2
• Molecular Weight: 256.688
• DSSTox Substance ID: DTXSID70356642
• Nikkaji Number: J1.093.903H
• Wikidata: Q82136121
• ChEMBL ID: CHEMBL1489474
• Mol file: 88039-96-7.mol

Synonyms:6-chloro-3-phenyl-2H-chromen-2-one;6-chloro-3-phenylchromen-2-one;88039-96-7;CBMicro_013961;MLS000572292;CHEMBL1489474;DTXSID70356642;HMS2522K19;SMSF0014208;AKOS004117645;CB07049;SMR000194253;BIM-0013829.P001;AB00102847-01;AE-848/15341463

Chemical Property of 6-chloro-3-phenyl-2H-chromen-2-one

Chemical Property:

• PSA: 30.21000
• LogP: 4.11340
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 256.0291072
• Heavy Atom Count: 18
• Complexity: 358

Purity/Quality:

2H-1-BENZOPYRAN-2-ONE, 6-CHLORO-3-PHENYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=C(C=CC(=C3)Cl)OC2=O

Technology Process of 6-chloro-3-phenyl-2H-chromen-2-one

There total 17 articles about 6-chloro-3-phenyl-2H-chromen-2-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%

N-methyll-N-(phenylethylnyl)methanesulfonamide (1333483-14-9) + 5-chlorosalicyclaldehyde (635-93-8) → 6-chloro-3-phenyl-2H-chromen-2-one (88039-96-7)

Guidance literature:

With zinc dibromide; In toluene; at 120 ℃; for 2h;

DOI:10.1021/acs.orglett.9b01181

Reference yield: 95.0%

carbon monoxide (201230-82-2) + benzyl chloride (100-44-7) + 5-chlorosalicyclaldehyde (635-93-8) → 6-chloro-3-phenyl-2H-chromen-2-one (88039-96-7)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine; In 1,4-dioxane; at 100 ℃; for 16h; under 7500.75 Torr; Inert atmosphere; Autoclave;

DOI:10.1002/chem.201301774

Reference yield: 92.0%

phenylacetylene (536-74-3) + 5-chlorosalicyclaldehyde (635-93-8) → 6-chloro-3-phenyl-2H-chromen-2-one (88039-96-7)

Guidance literature:

With 4-methylpyridine-1-oxide; Wilkinson's catalyst; In acetonitrile; at 120 ℃; for 5h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201407589

upstream raw materials:

sodium phenylacetate

5-chlorosalicyclaldehyde

phenylacetonitrile

phenylacetyl chloride

Downstream raw materials:

(S)-6-chloro-3-phenylspiro[chroman-2,2'-[1,3]dithiane]

6-chloro-3-phenylhydrocoumarin

2-(2-(1,3-dithian-2-ylidene)-2-phenylethyl)-4-chlorophenol

6-chloro-3-(2-hydroxyphenyl)-2H-chromen-2-one