5-Chlorocarbonylphthalide

Base Information Edit

Chemical Name:5-Chlorocarbonylphthalide
CAS No.:227954-90-7
Molecular Formula:C9H5 Cl O3
Molecular Weight:196.59
Hs Code.:
DSSTox Substance ID:DTXSID00431158
Wikidata:Q82244973
Mol file:227954-90-7.mol

Synonyms:5-Chlorocarbonylphthalide;227954-90-7;1-OXO-3H-2-BENZOFURAN-5-CARBONYL CHLORIDE;5-Chlorocarbonylphthalid;SCHEMBL3038326;DTXSID00431158;SSQVKKGZFIVXEX-UHFFFAOYSA-N;1-oxo-1,3-dihydro-2-benzofuran-5-carbonyl chloride;1-Oxo-1,3-dihydroisobenzofuran-5-carbonyl chloride

Suppliers and Price of 5-Chlorocarbonylphthalide

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-Chlorocarbonylphthalide Edit

Chemical Property:

PSA：43.37000
LogP:1.73600
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:195.9927217
Heavy Atom Count:13
Complexity:251

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(C=CC(=C2)C(=O)Cl)C(=O)O1

Technology Process of 5-Chlorocarbonylphthalide

There total 5 articles about 5-Chlorocarbonylphthalide 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: 91.0%

: 4792-29-4
5-carboxyphtalide

: 227954-90-7
(1-oxo-1,3-dihydroisobenzofuran-5-yl)carbonyl chloride

Guidance literature:: With thionyl chloride; N,N-dimethyl-formamide; at 60 ℃; for 3 - 5h; Product distribution / selectivity; Heating / reflux;

Reference yield:

N,N-dimethylformamide (DMF): N,N-dimethylformamide (DMF)

: 4792-29-4
5-carboxyphtalide

: 227954-90-7
(1-oxo-1,3-dihydroisobenzofuran-5-yl)carbonyl chloride

Guidance literature:: With thionyl chloride; In n-heptane; toluene;

Reference yield:

: 65399-05-5
5-amino-3H-isobenzofuran-1-one

: 227954-90-7
(1-oxo-1,3-dihydroisobenzofuran-5-yl)carbonyl chloride

Guidance literature:: Multi-step reaction with 4 steps

1: copper (II)-sulfate; potassium cyanide / ueber eine wss. Diazoniumsalz-Loesung

2: aqueous sulfuric acid

3: aq. NaOH solution / anschliessend Ansaeuern

4: thionyl chloride

With potassium cyanide; sodium hydroxide; thionyl chloride; sulfuric acid; copper(II) sulfate;
DOI:10.1039/jr9310000867