Indan-5-carboxylic acid

Base Information

• Chemical Name: Indan-5-carboxylic acid
• CAS No.: 65898-38-6
• Molecular Formula: C10H9O2-
• Molecular Weight: 162.188
• Hs Code.: 2916399090
• European Community (EC) Number: 837-795-6
• NSC Number: 76657
• DSSTox Substance ID: DTXSID70283282
• Nikkaji Number: J3.642.246G
• Wikidata: Q82017793
• ChEMBL ID: CHEMBL1545957
• Mol file: 65898-38-6.mol

Synonyms:Indan-5-carboxylic acid;65898-38-6;indane-5-carboxylic acid;2,3-dihydro-1H-indene-5-carboxylic acid;5-indanecarboxylic acid;1H-Indene-5-carboxylic acid, 2,3-dihydro-;5-Indancarboxylic acid;MFCD04038659;5-carboxyindane;MLS000716633;SCHEMBL485369;CHEMBL1545957;DTXSID70283282;HMS1704D15;HMS2632J06;NSC76657;BBL025870;NSC-76657;STK664111;AKOS000111853;FS-2513;AM804202;SMR000278150;SY035276;BB 0258504;CS-0130456;FT-0677803;EN300-12537;A867574;AE-562/43286929;Z85936364

Chemical Property of Indan-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00021mmHg at 25°C
• Melting Point: 184 °C
• Boiling Point: 313.5°Cat760mmHg
• PKA: 4.44±0.20(Predicted)
• Flash Point: 142.9°C
• PSA: 37.30000
• Density: 1.237g/cm³
• LogP: 1.87350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

Indane-?5-?carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C1)C=C(C=C2)C(=O)O
• Uses: Indane-?5-?carboxylic Acid (cas# 65898-38-6) is a compound useful in organic synthesis.

Technology Process of Indan-5-carboxylic acid

There total 22 articles about Indan-5-carboxylic 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: 99.0%

1-indan-5-yl-ethanone (4228-10-8) → indan-5-carboxylic acid (65898-38-6)

Guidance literature:

With sodium hypochlorite; In water; at 55 ℃; for 2h;

Reference yield: 99.0%

indan-5-carbaldehyde (30084-91-4) → indan-5-carboxylic acid (65898-38-6)

Guidance literature:

With copper acetylacetonate; oxygen; sodium hydroxide; 1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene; In water; at 50 ℃; for 12h; under 760.051 Torr; Sealed tube;

DOI:10.1002/anie.201604847

Reference yield: 98.0%

1-(2-indan-5-yl-2-oxo-ethyl)-pyridinium; iodide (113364-54-8) → indan-5-carboxylic acid (65898-38-6)

Guidance literature:

With sodium hydroxide; Heating;

DOI:10.1007/BF00809674

upstream raw materials:

1-indan-5-yl-ethanone

2-chloro-1-indan-5-yl-ethanone

2-(indan-5-carbonyl)-benzoic acid

1-(2-indan-5-yl-2-oxo-ethyl)-pyridinium; iodide

Downstream raw materials:

1,2,4-benzene tricarboxylic acid

methyl 5-indanecarboxylate

methyl 2,3-dihydro-1-oxo-1H-indene-5-carboxylate

3-oxo-indan-5-carboxylic acid methyl ester

Refernces

• 1、 Bhunia, Samir Kumar,Das, Pritha,Nandi, Shantanu,Jana, Ranjan. "Carboxylation of Aryl Triflates with CO2 Merging Palladium and Visible-Light-Photoredox Catalysts". supporting information. p. 4632 - 4637. Retrieved 2019/06/27.
• 2、 Liu, Mingxin,Li, Chao-Jun. "Catalytic Fehling's Reaction: An Efficient Aerobic Oxidation of Aldehyde Catalyzed by Copper in Water". supporting information. p. 10806 - 10810. Retrieved 2016/09/03.