Cyclopent(b)indol-3-one, 1,2,3,4-tetrahydro-

Base Information

• Chemical Name: Cyclopent(b)indol-3-one, 1,2,3,4-tetrahydro-
• CAS No.: 16244-15-8
• Molecular Formula: C11H9 N O
• Molecular Weight: 171.199
• NSC Number: 127326
• DSSTox Substance ID: DTXSID50167374
• Nikkaji Number: J85.242B
• Wikidata: Q83036728
• Mol file: 16244-15-8.mol

Synonyms:16244-15-8;Cyclopent(b)indol-3-one, 1,2,3,4-tetrahydro-;1,2-dihydrocyclopenta[b]indol-3(4H)-one;2,4-dihydro-1H-cyclopenta[b]indol-3-one;1-Keto-2,3-dihydrocyclopentindole;1H,2H,3H,4H-CYCLOPENTA[B]INDOL-3-ONE;NSC 127326;BRN 0147237;1,2,3,4-Tetrahydrocyclopent(b)indol-3-one;1,4-dihydrocyclopenta[b]indol-3(2H)-one;1,2,3,4-Tetrahydrocyclopent[b]indol-3-one;NSC127326;1,4-dihydrocyclopent[b]indol-3(2H)-one;SCHEMBL5918264;DTXSID50167374;BBL028432;MFCD00229317;STL146377;AKOS005720831;NSC-127326;LS-58383;VS-08770;1,4-dihydro-2h-cyclopenta[b]indol-3-one;CS-0320853

Chemical Property of Cyclopent(b)indol-3-one, 1,2,3,4-tetrahydro-

Chemical Property:

• Vapor Pressure: 1.49E-05mmHg at 25°C
• Melting Point: 228-230 °C (decomp)
• Boiling Point: 366.2°C at 760 mmHg
• PKA: 15.09±0.20(Predicted)
• Flash Point: 182.9°C
• PSA: 32.86000
• Density: 1.343g/cm³
• LogP: 2.29680
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 171.068413911
• Heavy Atom Count: 13
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

1,4-dihydro-Cyclopent[b]indol-3(2H)-one 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C3=CC=CC=C3N2

Technology Process of Cyclopent(b)indol-3-one, 1,2,3,4-tetrahydro-

There total 10 articles about Cyclopent(b)indol-3-one, 1,2,3,4-tetrahydro- 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: 95.0%

(1E/Z)-cyclopentane-1,2-dione phenylhydrazome (62136-38-3) → 1,4-dihydrocyclopenta[b]indol-3(2H)-one (16244-15-8)

Guidance literature:

With sulfuric acid; In acetonitrile; at 80 ℃;

DOI:10.1021/jo051146p

Reference yield: 81.0%

Indole-3-propionic acid (830-96-6) → 1,4-dihydrocyclopenta[b]indol-3(2H)-one (16244-15-8)

Guidance literature:

With PPA; In toluene; at 110 ℃; for 4h;

DOI:10.1039/c3md00200d

Reference yield: 40.0%

(Z)-2-(2-phenylhydrazono)cyclopentan-1-one (1449650-46-7) → 1,4-dihydrocyclopenta[b]indol-3(2H)-one (16244-15-8)

Guidance literature:

With sulfuric acid; In water; acetonitrile; for 4h; Reflux;

DOI:10.1016/j.bmcl.2013.06.073

upstream raw materials:

Indole-3-propionic acid

(1E/Z)-cyclopentane-1,2-dione phenylhydrazome

2,3-dihydro-1H-cyclopentindole

2-formylcyclopentanone

Downstream raw materials:

4-Methyl-3-[(E)-phenethylimino]-1,2,3,4-tetrahydro-cyclopenta[b]indol-7-ol

4-benzyl-7-fluoro-1,4-dihydrocyclopenta[b]indol-3(2H)-one

2-(4'-methoxy)-benzylidineindolo[2,3-b]cyclopentan-1-one