3H-Pyrrolo[1,2-a]indol-3-one, 1,2-dihydro-

Base Information

• Chemical Name: 3H-Pyrrolo[1,2-a]indol-3-one, 1,2-dihydro-
• CAS No.: 26709-65-9
• Molecular Formula: C₁₁H₉NO
• Molecular Weight: 171.199
• DSSTox Substance ID: DTXSID10444638
• Nikkaji Number: J731.385C
• Mol file: 26709-65-9.mol

Synonyms:3H-Pyrrolo[1,2-a]indol-3-one, 1,2-dihydro-;26709-65-9;1H-pyrrolo[1,2-a]indol-3(2H)-one;SCHEMBL9259627;DTXSID10444638;1,2-dihydro-3h-pyrrolo[1,2-a]indol-3-one

Chemical Property of 3H-Pyrrolo[1,2-a]indol-3-one, 1,2-dihydro-

Chemical Property:

• PSA: 22.00000
• LogP: 2.22770
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 171.068413911
• Heavy Atom Count: 13
• Complexity: 238

Purity/Quality:

1,2-dihydro-3H-Pyrrolo[1,2-a]indol-3-one 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N2C1=CC3=CC=CC=C32

Technology Process of 3H-Pyrrolo[1,2-a]indol-3-one, 1,2-dihydro-

There total 26 articles about 3H-Pyrrolo[1,2-a]indol-3-one, 1,2-dihydro- 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: 88.0%

4-(1H-indol-1-yl)-4-oxobutanoic acid → 1,2-dihydro-3H-pyrrolo<1,2-a>indol-3-one (26709-65-9)

Guidance literature:

4-(1H-indol-1-yl)-4-oxobutanoic acid; With N-hydroxyphthalimide; diisopropyl-carbodiimide; In tetrahydrofuran; at 23 ℃; for 16h; Inert atmosphere; Irradiation;

With fac-tris[2-phenylpyridinato-C²,N]iridium(III); In dimethyl sulfoxide; at 23 ℃; for 8h; under 3.0003 - 3.75038 Torr; Inert atmosphere;

DOI:10.1002/chem.202001324

Reference yield: 88.0%

1,3-dioxoisoindolin-2-yl 4-(1H-indol-1-yl)-4-oxobutanoate → 1,2-dihydro-3H-pyrrolo<1,2-a>indol-3-one (26709-65-9)

Guidance literature:

With fac-tris[2-phenylpyridinato-C²,N]iridium(III); In dimethyl sulfoxide; for 14h; Reagent/catalyst; Solvent; Inert atmosphere; Irradiation;

DOI:10.1002/chem.202001324

Reference yield: 86.0%

<2-(2,5-Dioxo-1-pyrrolidinyl)benzyl>triphenylphosphoniumbromid (90163-01-2) → 1,2-dihydro-3H-pyrrolo<1,2-a>indol-3-one (26709-65-9)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 120 ℃; for 5h;

DOI:10.1002/jlac.198519850712

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

o-aminobenzaldehyde

<2-(2,5-Dioxo-1-pyrrolidinyl)benzyl>triphenylphosphoniumbromid

<2-(2,5-Dioxo-1-pyrrolidinyl)benzyl>phosphonsaeure-diethylester