1-Oxo-2,3-dihydro-1H-inden-4-YL benzoate

Base Information

• Chemical Name: 1-Oxo-2,3-dihydro-1H-inden-4-YL benzoate
• CAS No.: 59725-61-0
• Molecular Formula: C16H12O3
• Molecular Weight: 252.269
• Hs Code.: 2916310090
• DSSTox Substance ID: DTXSID10975139
• Wikidata: Q72440392
• Mol file: 59725-61-0.mol

Synonyms:1-OXO-2,3-DIHYDRO-1H-INDEN-4-YL BENZOATE;59725-61-0;(1-oxo-2,3-dihydroinden-4-yl) benzoate;4-Hydroxy-1-indanone benzoate;1-oxo-2,3-dihydro-1h-inden-4-ylbenzoate;Maybridge3_005757;Oprea1_749863;SCHEMBL12930759;DTXSID10975139;HMS1447F15;CCG-47102;MFCD00052860;4-Hydroxy-1-indanone benzoate, 97%;AKOS015915454;AS-9309;IDI1_017144;CS-0326894;FT-0608193;F87406;A832438;SR-01000636749-1

Chemical Property of 1-Oxo-2,3-dihydro-1H-inden-4-YL benzoate

Chemical Property:

• Vapor Pressure: 5.42E-09mmHg at 25°C
• Melting Point: 78-82 °C (lit.)
• Refractive Index: 1.625
• Boiling Point: 469.6 °C at 760 mmHg
• Flash Point: 212.1 °C
• PSA: 43.37000
• Density: 1.271 g/cm³
• LogP: 3.03470
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 357

Purity/Quality:

98%min ^*data from raw suppliers

4-Hydroxy-1-indanone benzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C(=CC=C2)OC(=O)C3=CC=CC=C3

Technology Process of 1-Oxo-2,3-dihydro-1H-inden-4-YL benzoate

There total 5 articles about 1-Oxo-2,3-dihydro-1H-inden-4-YL benzoate 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: 58.0%

3-<2-(benzyloxy)phenyl>propionic acid (59725-59-6) → 4-(benzyloxy)-1-indanone (59725-61-0)

Guidance literature:

3-<2-(benzyloxy)phenyl>propionic acid; With thionyl chloride; In dichloromethane; for 4h; Reflux;

With aluminum (III) chloride; In dichloromethane; at -50 - 20 ℃; Reflux;

Reference yield:

Benzoic acid 2-(2-chlorocarbonyl-ethyl)-phenyl ester (59725-62-1) → 4-(benzyloxy)-1-indanone (59725-61-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 3h; Yield given; Heating;

DOI:10.1021/jm00382a024

Reference yield:

C6H4(CH2CH2C(O)O) (119-84-6,1341-36-2) → 4-(benzyloxy)-1-indanone (59725-61-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 63 percent / 30percent NaOH / Ambient temperature

2: thionyl chloride, DMF / CH₂Cl₂ / 4 h / Heating

3: AlCl₃ / CH₂Cl₂ / 3 h / Heating

With sodium hydroxide; aluminium trichloride; thionyl chloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1021/jm00382a024

upstream raw materials:

Benzoic acid 2-(2-chlorocarbonyl-ethyl)-phenyl ester

3-<2-(benzyloxy)phenyl>propionic acid

C₆H₄(CH₂CH₂C(O)O)

benzoyl chloride

Downstream raw materials:

4-hydroxy-2,3-dihydroindan-1-one

4-methoxylindanone

benzoic acid 9-oxo-9H-2-oxa-1,3,4,10-tetraazacyclopenta[b]fluoren-8-yl ester

benzoic acid 2,2-dihydroxy-1,3-dioxo-indan-4-yl ester

Refernces

• 1、 -. "SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS". Page/Page column 30. . Retrieved 2008/12/04.