1H-Indene-3-acetic acid

Base Information

• Chemical Name: 1H-Indene-3-acetic acid
• CAS No.: 1620-00-4
• Molecular Formula: C11H10 O2
• Molecular Weight: 174.199
• DSSTox Substance ID: DTXSID10167279
• Nikkaji Number: J1.055.137D
• Wikidata: Q83036621
• Mol file: 1620-00-4.mol

Synonyms:1H-Indene-3-acetic acid;1620-00-4;2-(1H-Inden-3-yl)acetic acid;indene-3-acetic acid;SCHEMBL1520645;2-(1H-Inden-3-yl)aceticacid;2-(ind-1-en-1-yl)acetic acid;DTXSID10167279;JMNVALXGIOSFGW-UHFFFAOYSA-N;2-(ind-1-en-1-yl)-acetic acid;CS-0253982

Chemical Property of 1H-Indene-3-acetic acid

Chemical Property:

• Vapor Pressure: 2.41E-05mmHg at 25°C
• Boiling Point: 345°C at 760 mmHg
• Flash Point: 242°C
• PSA: 37.30000
• Density: 1.226g/cm³
• LogP: 2.10080
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=C(C2=CC=CC=C21)CC(=O)O

Technology Process of 1H-Indene-3-acetic acid

There total 9 articles about 1H-Indene-3-acetic 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: 91.0%

ethyl 2-(1H-inden-3-yl)acetate (4709-56-2) → 1H-indene-3-acetic acid (1620-00-4)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 20 ℃; for 12h;

DOI:10.1016/j.phytochem.2013.10.001

Reference yield:

1H-inden-1-one (480-90-0) + ethyl bromoacetate (105-36-2) → 1H-indene-3-acetic acid (1620-00-4)

Guidance literature:

1H-inden-1-one; ethyl bromoacetate; With iodine; zinc; In tetrahydrofuran; for 4.5h; Inert atmosphere; Reflux;

With sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1016/j.ejmech.2021.113542

Reference yield:

inden-1-one (83-33-0) → 1H-indene-3-acetic acid (1620-00-4)

Guidance literature:

Multi-step reaction with 3 steps

1: Zn, HgCl₂, I₂ / benzene; diethyl ether / Heating

2: HCO₂H

3: aq. KOH / ethanol / Heating

With potassium hydroxide; formic acid; iodine; mercury dichloride; zinc; In diethyl ether; ethanol; benzene;

DOI:10.1021/jo00948a001

upstream raw materials:

inden-1-yliden-acetic acid

ethyl bromoacetate

inden-1-one

1-(ethoxycarbonyl)methyleneindane

Downstream raw materials:

2,3,4,9-tetrahydro-1H-fluoren-1-one

2-(indan-1-yl)ethanol