5-Indanacetic acid, 3-oxo-

Base Information

• Chemical Name: 5-Indanacetic acid, 3-oxo-
• CAS No.: 71823-52-4
• Molecular Formula: C11H10O3
• Molecular Weight: 190.199
• DSSTox Substance ID: DTXSID00222104
• Nikkaji Number: J2.165.919C
• Wikidata: Q83100263
• ChEMBL ID: CHEMBL3251915

Synonyms:5-Indanacetic acid, 3-oxo-;1-Indanone-6-acetic acid;3-Oxo-5-indanacetic acid;BRN 2968610;71823-52-4;1H-Indene-5-acetic acid, 2,3-dihydro-3-oxo-;3-Oxoindan-5-acetic acid;3-Oxo-5-indaneacetic acid;SCHEMBL1347195;CHEMBL3251915;DTXSID00222104;MYILRYSBLJPCQX-UHFFFAOYSA-N;LS-81036;FT-0711723

Chemical Property of 5-Indanacetic acid, 3-oxo-

Chemical Property:

• Vapor Pressure: 3.89E-07mmHg at 25°C
• Boiling Point: 400.6°Cat760mmHg
• Flash Point: 210.2°C
• Density: 1.335g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=CC(=C2)CC(=O)O

Technology Process of 5-Indanacetic acid, 3-oxo-

There total 1 articles about 5-Indanacetic acid, 3-oxo- 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:

3-(4-acetylphenyl)propionic acid (39105-51-6) → 2-(3-oxo-2,3-dihydro-1H-inden-5-yl)acetic acid (71823-52-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mor, sulfur, (ii) aq. NaOH, EtOH

2: polyphosphoric acid

With PPA;

DOI:10.1021/jm00198a007

Reference yield: 49.0%

2-(3-oxo-2,3-dihydro-1H-inden-5-yl)acetic acid (71823-52-4) + [4-methyl-2-(piperidin-1-yl)phenyl](5-methylfuran-2-yl)methanamine → N-{[4-methyl-2-(piperidin-1-yl)phenyl](5-methylfuran-2-yl)methyl}-2-(3-oxo-2,3-dihydro-1H-inden-5-yl)acetamide

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

2-(3-oxo-2,3-dihydro-1H-inden-5-yl)acetic acid (71823-52-4) → 2-Benzylidene-3-oxo-5-indaneacetic acid

Guidance literature:

With potassium hydroxide; In ethanol; water; benzaldehyde;

upstream raw materials:

3-(4-acetylphenyl)propionic acid

Downstream raw materials:

{2-[1-(4-Chloro-phenyl)-meth-(Z)-ylidene]-3-oxo-indan-5-yl}-acetic acid

{3-Oxo-2-[1-phenyl-meth-(Z)-ylidene]-indan-5-yl}-acetic acid

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