1-Acetoxyindan

Base Information

• Chemical Name: 1-Acetoxyindan
• CAS No.: 26452-98-2
• Molecular Formula: C11H12 O2
• Molecular Weight: 176.215
• Hs Code.: 2915390090
• NSC Number: 62558,31257
• DSSTox Substance ID: DTXSID10283408
• Nikkaji Number: J1.260.732F
• Mol file: 26452-98-2.mol

Synonyms:1-Acetoxyindan;26452-98-2;2,3-Dihydro-1H-inden-1-yl acetate;1-Acetoxyindane;rac-indanyl acetate;NSC31257;NCIOpen2_000127;SCHEMBL817976;DTXSID10283408;BBA45298;NSC62558;2,3-Dihydro-1H-inden-1-ylacetate;MFCD00053467;NSC 31257;NSC 62558;NSC-31257;NSC-62558;AKOS025295023;2,3-Dihydro-1H-inden-1-yl acetate #;AC-27849;CS-0320575;T70688

Chemical Property of 1-Acetoxyindan

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Melting Point: 42-43 °C
• Refractive Index: 1.5230-1.5270
• Boiling Point: 241 °C
• Flash Point: 100.1°C
• PSA: 26.30000
• Density: 1.09
• LogP: 2.23700
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

98% ^*data from raw suppliers

1-Acetoxyindan >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC2=CC=CC=C12

Technology Process of 1-Acetoxyindan

There total 18 articles about 1-Acetoxyindan 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%

1-Indanol (6351-10-6) + acetic anhydride (108-24-7) → 2,3-dihydro-1H-inden-1-yl-acetate (26452-98-2)

Guidance literature:

With 4-(N,N-dimethylamino)pyridine based 1,3,5,7-tetraphenyladamantane polymer; In neat (no solvent); at 25 ℃; for 4.5h; Schlenk technique;

DOI:10.1016/j.reactfunctpolym.2016.04.015

Reference yield: 91.0%

acetic acid methyl ester (79-20-9) + 1-Indanol (6351-10-6) → 2,3-dihydro-1H-inden-1-yl-acetate (26452-98-2)

Guidance literature:

With 1,3-dicyclohexylimidazol-2-ylidene; at 25 ℃; for 0.25h;

DOI:10.1021/jo035431p

Reference yield: 89.0%

Isopropenyl acetate (108-22-5) + 1-Indanol (6351-10-6) → 2,3-dihydro-1H-inden-1-yl-acetate (26452-98-2)

Guidance literature:

With Novozym 435; (isopropylamino)(tetraphenyl)cyclopentadienyl Ru(CO)2Cl; potassium tert-butylate; In toluene; at 25 ℃; for 48h;

DOI:10.1002/1521-3773(20020703)41:13<2373::AID-ANIE2373>3.0.CO;2-7

upstream raw materials:

1-chloroindane

1-Indanol

acetic anhydride

1-(2,3-dihydro-1H-inden-1-yl)ethan-1-one

Downstream raw materials:

rasagiline mesylate

rasagiline

(R)-indan-1-ol

(S)-indanol

Refernces

• 1、 Gavin, Declan P.,Murphy, Edel J.,Foley, Aoife M.,Castilla, Ignacio Abreu,Reen, F. Jerry,Woods, David F.,Collins, Stuart G.,O'Gara, Fergal,Maguire, Anita R.. "Identification of an Esterase Isolated Using Metagenomic Technology which Displays an Unusual Substrate Scope and its Characterisation as an Enantioselective Biocatalyst". supporting information. p. 2466 - 2474. Retrieved 2019/03/11.
• 2、 Albadi, Jalal,Alihosseinzadeh, Amir,Mardani, Mehdi. "Efficient approach for the chemoselective acetylation of alcohols catalyzed by a novel metal oxide nanocatalyst CuO-ZnO". . p. 308 - 313. Retrieved 2015/09/28.