2-(2,3-dihydro-1H-indene-5-carbonyl)benzoic acid

Base Information

• Chemical Name: 2-(2,3-dihydro-1H-indene-5-carbonyl)benzoic acid
• CAS No.: 6321-58-0
• Molecular Formula: C17H14O3
• Molecular Weight: 266.296
• NSC Number: 30815
• DSSTox Substance ID: DTXSID70283287
• Wikidata: Q82017800
• ChEMBL ID: CHEMBL1213276
• Mol file: 6321-58-0.mol

Synonyms:6321-58-0;2-(2,3-dihydro-1H-indene-5-carbonyl)benzoic acid;2-(2,3-dihydro-1H-inden-5-ylcarbonyl)benzenecarboxylic acid;NSC30815;Bionet2_001172;MLS001166011;CHEMBL1213276;DTXSID70283287;HMS1367F06;HMS2855B20;MFCD03787575;NSC-30815;AKOS005099329;SMR000550277;2-(2,3-dihydro-1H-indene-5-carbonyl)benzoicacid;6W-0213

Chemical Property of 2-(2,3-dihydro-1H-indene-5-carbonyl)benzoic acid

Chemical Property:

• Vapor Pressure: 4.29E-11mmHg at 25°C
• Boiling Point: 506.8°Cat760mmHg
• Flash Point: 274.4°C
• PSA: 54.37000
• Density: 1.273g/cm³
• LogP: 3.10450
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 266.094294304
• Heavy Atom Count: 20
• Complexity: 390

Purity/Quality:

99% ^*data from raw suppliers

2-(2,3-Dihydro-1H-inden-5-ylcarbonyl)benzenecarboxylicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C1)C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O

Technology Process of 2-(2,3-dihydro-1H-indene-5-carbonyl)benzoic acid

There total 1 articles about 2-(2,3-dihydro-1H-indene-5-carbonyl)benzoic acid 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: 74.0%

phthalic anhydride (85-44-9) + INDANE (496-11-7) → 2-(indan-5-carbonyl)-benzoic acid (6321-58-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 12h; Ambient temperature;

DOI:10.1021/jo00021a055

Reference yield: 71.0%

2-(indan-5-carbonyl)-benzoic acid (6321-58-0) → 2-[(2,3-dihydro-1H-inden-5-yl)methyl]benzoic acid

Guidance literature:

With hydrogenchloride; zinc amalgam; In 1,4-dioxane; water; toluene; for 48h; Reflux; Inert atmosphere;

DOI:10.1002/ejoc.201500493

Reference yield: 60.0%

2-(indan-5-carbonyl)-benzoic acid (6321-58-0) + 4-(methylsulfonyl)phenylhydrazine (877-66-7) → 4-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methylsulfonyl)phenyl]phthalazin-1(2H)-one

Guidance literature:

In ethanol; Reflux;

DOI:10.1002/ardp.201500336

upstream raw materials:

phthalic anhydride

INDANE

Downstream raw materials:

3-indan-5-yl-phthalide

indan-5-carboxylic acid

2,3-dihydro-1H-cyclopentanthracene-6,11-dione

2,3-trimethyleneanthraquinone

Refernces

• 1、 Hallman, Johnny L.,Bartsch, Richard A.. "Synthesis of Naphthoninhydrin". . p. 6243 - 6245. Retrieved 2007/10/02.