4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid
• CAS No.: 75382-32-0
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.252
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID60363204
• Wikidata: Q82146800
• ChEMBL ID: CHEMBL4581803
• Mol file: 75382-32-0.mol

Synonyms:4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid;75382-32-0;CHEMBL4581803;4-(2,3-DIHYDRO-1H-INDEN-5-YL)-4-OXOBUTANOICACID;Bionet2_001084;SCHEMBL6504541;DTXSID60363204;HMS1367B06;BDBM50530949;MFCD03787570;AKOS000345473;EN300-11365;5W-0389;Z57044217

Chemical Property of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 6.37E-09mmHg at 25°C
• Boiling Point: 451°C at 760 mmHg
• Flash Point: 240.7°C
• PSA: 54.37000
• Density: 1.228g/cm³
• LogP: 2.22280
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 218.094294304
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)O

Technology Process of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid

There total 2 articles about 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic 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: 98.0%

succinic acid anhydride (108-30-5) + INDANE (496-11-7) → 3-(5-indanylcarbonyl)-propionic acid (75382-32-0)

Guidance literature:

With aluminium trichloride;

DOI:10.1007/BF00798792

Reference yield:

3-(4-cyclohexylbenzoyl)propionic acid (35288-13-2) + 4-indan-5-yl-4-oxo-butyric acid ethyl ester (175393-22-3) → 3-(5-indanylcarbonyl)-propionic acid (75382-32-0)

Guidance literature:

Reference yield:

3-(5-indanylcarbonyl)-propionic acid (75382-32-0) → 2,3-dihydro-1H-cyclopenta[b]naphthalene (1624-26-6)

Guidance literature:

Multi-step reaction with 5 steps

1: Zn-Hg, aq. HCl / toluene / Heating

2: polyphosphoric acid / Heating

3: LiAlH₄ / diethyl ether / Heating

4: KHSO₄ / 150 °C

5: SeO₂ / xylene / 3 h / Heating

With hydrogenchloride; potassium hydrogensulfate; lithium aluminium tetrahydride; selenium(IV) oxide; PPA; mercury; zinc; In diethyl ether; toluene; xylene;

upstream raw materials:

succinic acid anhydride

INDANE

3-(4-cyclohexylbenzoyl)propionic acid

4-indan-5-yl-4-oxo-butyric acid ethyl ester

Downstream raw materials:

2,3-dihydro-1H-cyclopenta[b]naphthalene