2,3-Dihydro-1H-inden-2-yl acetate

Base Information

• Chemical Name: 2,3-Dihydro-1H-inden-2-yl acetate
• CAS No.: 4254-31-3
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID301296706
• Nikkaji Number: J600.070C
• Mol file: 4254-31-3.mol

Synonyms:2,3-Dihydro-1H-inden-2-yl acetate;2-Acetoxyindane;4254-31-3;2-acetoxyindan;2,3-Dihydro-1H-inden-2-ylacetate;acetic acid indan-2-yl ester;SCHEMBL1196934;DTXSID301296706;AB66196;2,3-Dihydro-1H-inden-2-yl acetate #;1H-Inden-2-ol, 2,3-dihydro-, 2-acetate

Chemical Property of 2,3-Dihydro-1H-inden-2-yl acetate

Chemical Property:

• PSA: 26.30000
• LogP: 1.71690
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

2-Acetoxyindan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2=CC=CC=C2C1
• Uses: 2-Acetoxyindan can be used to treat RORγ-?mediated inflammatory disease, metabolic disease, and autoimmune disease.

Technology Process of 2,3-Dihydro-1H-inden-2-yl acetate

There total 10 articles about 2,3-Dihydro-1H-inden-2-yl acetate 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: 100.0%

indan-2-ol (4254-29-9) + acetyl chloride (75-36-5) → 2-acetoxyindane (4254-31-3)

Guidance literature:

at 25 ℃; for 16h;

DOI:10.1016/j.tet.2005.04.069

Reference yield: 99.0%

indan-2-ol (4254-29-9) + acetic anhydride (108-24-7) → 2-acetoxyindane (4254-31-3)

Guidance literature:

With pyridine; at 20 ℃;

Reference yield: 96.0%

indan-2-ol (4254-29-9) + acetylacetone (123-54-6,81235-32-7) → 2-acetoxyindane (4254-31-3)

Guidance literature:

With iron(III) chloride; at 80 ℃; for 16h; Neat (no solvent);

DOI:10.1002/ejoc.201000140

upstream raw materials:

indan-2-ol

acetyl chloride

1-indene

acetic anhydride

Downstream raw materials:

indan-2-ol

cis-1,2-indandiol

(1R,2R)-2,3-dihydro-1H-indene-1,2-diol

(R)-2-hydroxy-2,3-dihydro-1H-inden-1-one

Refernces

• 1、 -. "Method for preparing 5,6-diethyl-2,3-dihydro-1H-indene-2-amino hydrochloride". Paragraph 0025; 0028; 0029. . Retrieved 2019/10/01.
• 2、 Rao, Chitturi Bhujanga,Rao, Dasireddi Chandra,Babu, Dokuburra Chanti,Venkateswarlu, Yenamandra. "Retro-claisen condensation with FeIII as catalyst under solvent-free conditions". supporting information; experimental part. p. 2855 - 2859. Retrieved 2010/08/05.