3-(4-Carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1H-indene-5-carboxylic acid

Base Information

• Chemical Name: 3-(4-Carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1H-indene-5-carboxylic acid
• CAS No.: 3569-18-4
• Molecular Formula: C₂₀H₂₀O₄
• Molecular Weight: 324.376
• European Community (EC) Number: 222-666-3
• DSSTox Substance ID: DTXSID90957079
• Nikkaji Number: J209.064C
• Mol file: 3569-18-4.mol

Synonyms:3569-18-4;3-(4-carboxyphenyl)-1,1,3-trimethylindane-5-carboxylic acid;1,1,3-TRIMETHYL-3-PHENYLINDAN-4',5-DICARBOXYLIC ACID;3-(4-carboxyphenyl)-1,1,3-trimethyl-2H-indene-5-carboxylic acid;3-(4-Carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1H-indene-5-carboxylic acid;C20H20O4;EINECS 222-666-3;3-(4-carboxyphenyl)-1,1,3-trimethyl-2,3-dihydro-1H-indene-5-carboxylic acid;SCHEMBL527839;DTXSID90957079;MFCD00021241;AKOS015998431;1H-indene-5-carboxylic acid, 3-(4-carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-;LS-08690;FT-0606013;1,1,3-Trimethyl 3-(4-carboxyphenyl)indan-5-carboxylic acid;3-PHENYL-1,1,3-TRIMETHYLINDAN-4',5-DICARBOXYLIC ACID

Chemical Property of 3-(4-Carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1H-indene-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 8.43E-11mmHg at 25°C
• Melting Point: 293°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 499.6°Cat760mmHg
• Flash Point: 270°C
• PSA: 74.60000
• Density: 1.225g/cm³
• LogP: 4.07030
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 324.13615911
• Heavy Atom Count: 24
• Complexity: 518

Purity/Quality:

99%, ^*data from raw suppliers

3-(4-Carboxyphenyl)-1,1,3-trimethylindane-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CC(C2=C1C=CC(=C2)C(=O)O)(C)C3=CC=C(C=C3)C(=O)O)C

Technology Process of 3-(4-Carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1H-indene-5-carboxylic acid

There total 9 articles about 3-(4-Carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1H-indene-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:

1,1,3-trimethyl-3-phenylindane (3910-35-8) + acetyl chloride (75-36-5) → 1,1,3-trimethyl-3-phenylindan-4',5-dicarboxylic acid (3569-18-4,132036-33-0) + C20H20O4

Guidance literature:

1,1,3-trimethyl-3-phenylindane; acetyl chloride; With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 1h; Reflux;

With ammonium cerium (IV) nitrate; acetic acid; at 60 ℃; for 7.5h;

Reference yield:

1-(4-methylphenyl)-1,3,3,6-tetramethylindane (1153-36-2) → 1,1,3-trimethyl-3-phenylindan-4',5-dicarboxylic acid (3569-18-4,132036-33-0)

Guidance literature:

1-(4-methylphenyl)-1,3,3,6-tetramethylindane; With nitric acid; for 43h; Reflux;

With potassium permanganate; sodium hydroxide; for 1h; Reagent/catalyst; Temperature; Reflux;

Reference yield:

→ 1,1,3-trimethyl-3-phenylindan-4',5-dicarboxylic acid (3569-18-4,132036-33-0)

Guidance literature:

With nitric acid;

upstream raw materials:

1,1,3-trimethyl-3-phenylindane

acetyl chloride

1-methyl-4-isopropenylbenzene

4-methylisopropylbenzene

Downstream raw materials:

1,1,3-trimethyl-3-phenylindane

Refernces