3-chloro-1,3-dihydro-2H-indol-2-one

Base Information

• Chemical Name: 3-chloro-1,3-dihydro-2H-indol-2-one
• CAS No.: 68235-96-1
• Molecular Formula: C8H6ClNO
• Molecular Weight: 167.595
• ChEMBL ID: CHEMBL67425
• DSSTox Substance ID: DTXSID30497368
• Nikkaji Number: J3.120.653G
• Mol file: 68235-96-1.mol

Synonyms:68235-96-1;3-chloro-1,3-dihydro-2H-indol-2-one;3-chloro-1,3-dihydroindol-2-one;2H-Indol-2-one, 3-chloro-1,3-dihydro-;3-chloro-2,3-dihydro-1H-indol-2-one;3-chloroindolinone;3-chloro-oxindole;CHEMBL67425;SCHEMBL1462143;DTXSID30497368;WTARYLJJYFWAJJ-UHFFFAOYSA-N;3-Chloro-1,3-dihydro-indol-2-one;AKOS006230108;EN300-126070

Chemical Property of 3-chloro-1,3-dihydro-2H-indol-2-one

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 167.0137915
• Heavy Atom Count: 11
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C(=O)N2)Cl

Technology Process of 3-chloro-1,3-dihydro-2H-indol-2-one

There total 5 articles about 3-chloro-1,3-dihydro-2H-indol-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: 75.0%

(2-nitroethenyl)benzene (102-96-5) + acetyl chloride (75-36-5) → rac-3-chloroindolin-2-one (68235-96-1) + chlorure de l'acide N-acetoxy chloro-2 phenyl-2 acetohydroximique (14113-33-8)

Guidance literature:

With iron(III) chloride; In dichloromethane; at 0 ℃; for 5h;

Reference yield:

(2-nitroethenyl)benzene (102-96-5) + acetyl chloride (75-36-5) → rac-3-chloroindolin-2-one (68235-96-1) + acide N-acetyl acetoxy-2 phenyl-2 acetohydroxamique (77130-78-0)

Guidance literature:

iron(III) chloride; In 1,2-dichloro-ethane; at 0 ℃; for 5h; Title compound not separated from byproducts;

DOI:10.1016/0040-4020(80)80224-9

Reference yield:

(2-nitroethenyl)benzene (102-96-5) + acetyl chloride (75-36-5) → rac-3-chloroindolin-2-one (68235-96-1) + acetyl-5 chloro-3 indolinone-2 (68235-99-4) + chlorure de l'acide N-acetoxy chloro-2 phenyl-2 acetohydroximique (14113-33-8) + acide N-acetyl acetoxy-2 phenyl-2 acetohydroxamique (77130-78-0)

Guidance literature:

iron(III) chloride; In carbon disulfide; at 0 ℃; for 5h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1016/0040-4020(80)80224-9

upstream raw materials:

(2-nitroethenyl)benzene

acetyl chloride

Downstream raw materials:

3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,3-dihydro-indol-2-one

(R)-3-chloro--3-((S)-2-nitro-1-phenylethyl)indolin-2-one

(R)-3-((S)-1-(4-bromophenyl)-2-nitroethyl)-3-chloroindolin-2-one

(R)--3-chloro-3-((S)-2-nitro-1-(-4-nitrophenyl)ethyl)indolin--2-one