2,3-dihydro-1H-indol-7-yl(phenyl)methanone

Base Information

• Chemical Name: 2,3-dihydro-1H-indol-7-yl(phenyl)methanone
• CAS No.: 33244-57-4
• Molecular Formula: C15H13NO
• Molecular Weight: 223.274
• DSSTox Substance ID: DTXSID20372438
• Nikkaji Number: J134.887F
• Wikidata: Q82160150
• ChEMBL ID: CHEMBL3249487
• Mol file: 33244-57-4.mol

Synonyms:7-Benzoylindoline;33244-57-4;2,3-dihydro-1H-indol-7-yl(phenyl)methanone;Maybridge3_006965;methanone,(2,3-dihydro-1h-indol-7-yl)phenyl-;Oprea1_268942;CHEMBL3249487;SCHEMBL10544590;DTXSID20372438;ZZOVZJBWXVZVLN-UHFFFAOYSA-N;HMS1450M13;CCG-46383;IDI1_018352;SR-01000636084-1;BRD-K85764734-001-01-5

Chemical Property of 2,3-dihydro-1H-indol-7-yl(phenyl)methanone

Chemical Property:

• Melting Point: 124°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 364.56°C (rough estimate)
• PSA: 29.10000
• Density: 1.0707 (rough estimate)
• LogP: 3.02360
• Water Solubility.: 2.29mg/L(25 oC)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.099714038
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C1C=CC=C2C(=O)C3=CC=CC=C3

Technology Process of 2,3-dihydro-1H-indol-7-yl(phenyl)methanone

There total 15 articles about 2,3-dihydro-1H-indol-7-yl(phenyl)methanone 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: 100.0%

1-indoline (496-15-1) + benzonitrile (100-47-0) → 7-benzoyl-1H-indoline (33244-57-4)

Guidance literature:

1-indoline; benzonitrile; With aluminum (III) chloride; water; boron trichloride; In dichloromethane; toluene; at 110 ℃;

With hydrogenchloride; water; In dichloromethane; toluene; at 80 ℃; for 1h;

Reference yield: 87.0%

1-(7-benzoylindolin-1-yl)-2,2-dimethylpropan-1-one → 7-benzoyl-1H-indoline (33244-57-4)

Guidance literature:

With ethanol; potassium hydroxide; at 100 ℃; for 16h;

DOI:10.1002/adsc.201400942

Reference yield: 83.0%

1-indoline (496-15-1) + silica-gel → 7-benzoyl-1H-indoline (33244-57-4)

Guidance literature:

With hydrogenchloride; triethylamine; In dichloromethane; benzonitrile; 1,2-dichloro-ethane;

upstream raw materials:

1-indoline

benzonitrile

N-benzoylindoline

Benzoylformic acid

Downstream raw materials:

7-benzoyl-1-bromoacetyl-2,3-dihydro-indole

1-phenyl-6,7-dihydro-3H-[1,4]diazepino[6,7,1-hi]indol-4-one

7-benzoyl-1,3-dihydroindol-2-one

2-amino-3-benzoylbenzeneacetic acid,sodium salt