3'-(4-Chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione

Base Information

• Chemical Name: 3'-(4-Chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione
• CAS No.: 127322-76-3
• Molecular Formula: C16H9ClO3
• Molecular Weight: 284.699
• DSSTox Substance ID: DTXSID20389743
• Nikkaji Number: J2.018.436A
• ChEMBL ID: CHEMBL1381436

Synonyms:127322-76-3;SMR000177648;MLS000567016;Spiro[2H-indene-2,2'-oxirane]-1,3-dione, 3'-(4-chlorophenyl)-;3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione;SBB041965;CHEMBL1381436;SCHEMBL13114187;BDBM61173;cid_3142215;DTXSID20389743;STL259830;AKOS000270592;AKOS016039961;SR-01000313940;SR-01000313940-1;3''-(4-chlorophenyl)spiro[indane-2,2''-oxirane]-1,3-quinone;3''-(4-chlorophenyl)spiro[indene-2,2''-oxirane]-1,3-dione;3'-(4-Chlorophenyl)-1,3-dihydrospiro[2H-indene-2,2'-oxirane]-1,3-dione

Chemical Property of 3'-(4-Chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 284.0240218
• Heavy Atom Count: 20
• Complexity: 429

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)C(O3)C4=CC=C(C=C4)Cl

Technology Process of 3'-(4-Chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione

There total 3 articles about 3'-(4-Chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione 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%

2-(4-chlorobenzylidene)-2H-indene-1,3-dione (15875-54-4) → 3'-(4-chlorophenyl)spiro[2H-indene-2,2'-oxirane]-1,3-dione (127322-76-3)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In methanol;

DOI:10.1016/S0960-894X(03)00510-9

Reference yield:

1H-indene-1,3(2H)-dione (606-23-5) → 3'-(4-chlorophenyl)spiro[2H-indene-2,2'-oxirane]-1,3-dione (127322-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine / benzene / Heating

2: aq. H₂O₂; NaOH / methanol

With piperidine; sodium hydroxide; dihydrogen peroxide; In methanol; benzene;

DOI:10.1016/j.bmcl.2003.11.081

Reference yield:

4-chlorobenzaldehyde (104-88-1) → 3'-(4-chlorophenyl)spiro[2H-indene-2,2'-oxirane]-1,3-dione (127322-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine / benzene / Heating

2: aq. H₂O₂; NaOH / methanol

With piperidine; sodium hydroxide; dihydrogen peroxide; In methanol; benzene;

DOI:10.1016/j.bmcl.2003.11.081

upstream raw materials:

2-(4-chlorobenzylidene)-2H-indene-1,3-dione

1H-indene-1,3(2H)-dione

4-chlorobenzaldehyde

Downstream raw materials:

exo-4-oxa-3-(4-chlorophenyl)-5,5-phthaloyltricyclo<5.2.1.0^2,6>decane

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