3-Phenyl-1-indanacetic acid

Base Information

• Chemical Name: 3-Phenyl-1-indanacetic acid
• CAS No.: 71823-43-3
• Molecular Formula: C₁₇H₁₆O₂
• Molecular Weight: 252.313
• DSSTox Substance ID: DTXSID20992519
• ChEMBL ID: CHEMBL3251910
• Mol file: 71823-43-3.mol

Synonyms:3-Phenyl-1-indanacetic acid;71823-43-3;1-Indanacetic acid, 3-phenyl-;1-Indanacetic acid,3-phenyl-;CHEMBL3251910;SCHEMBL11311531;DTXSID20992519;SPMZTVMUKNTXEW-UHFFFAOYSA-N;LS-81037;(3-PHENYL-2,3-DIHYDRO-1H-INDEN-1-YL)ACETIC ACID

Chemical Property of 3-Phenyl-1-indanacetic acid

Chemical Property:

• Vapor Pressure: 2.51E-08mmHg at 25°C
• Melting Point: 134 °C
• Boiling Point: 434.7°C at 760 mmHg
• Flash Point: 331.4°C
• PSA: 37.30000
• Density: 1.174g/cm³
• LogP: 3.78050
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 252.115029749
• Heavy Atom Count: 19
• Complexity: 319

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=CC=CC=C2C1C3=CC=CC=C3)CC(=O)O

Technology Process of 3-Phenyl-1-indanacetic acid

There total 3 articles about 3-Phenyl-1-indanacetic 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:

3-phenyl-1-indanone (16618-72-7) + ethyl bromoacetate (105-36-2) → 3-Phenyl-1-indanessigsaeure (71823-43-3)

Guidance literature:

Multistep reaction; (i) Zn, I₂, Et₂O, (ii) H₂, Pd-C, EtOH, (iii) aq. NaOH;

DOI:10.1021/jm00198a007

Reference yield:

→ 3-Phenyl-1-indanessigsaeure (71823-43-3)

Guidance literature:

entspr. Indanylessigsaeure 6 (Hydrierung, Pd/Al2O3);

Reference yield:

→ ((1S,3R)-3-Phenyl-indan-1-yl)-acetic acid (38240-83-4,58236-09-2,71823-43-3)

Guidance literature:

Saeure (8), H2;

DOI:10.1016/S0040-4039(01)94152-8

upstream raw materials:

3-phenyl-1-indanone

ethyl bromoacetate

Refernces