5-Acetohydroximoylindane

Base Information

• Chemical Name: 5-Acetohydroximoylindane
• CAS No.: 36795-33-2
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID30385014
• Mol file: 36795-33-2.mol

Synonyms:5-ACETOHYDROXIMOYLINDANE;36795-33-2;N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine;5-acetylindane oxime;Maybridge3_004561;SCHEMBL10751520;DTXSID30385014;OZQPZHZGJWHZRU-UHFFFAOYSA-N

Chemical Property of 5-Acetohydroximoylindane

Chemical Property:

• PSA: 32.59000
• LogP: 2.37350
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C1=CC2=C(CCC2)C=C1

Technology Process of 5-Acetohydroximoylindane

There total 2 articles about 5-Acetohydroximoylindane 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-indan-5-yl-ethanone (4228-10-8) → 1-(indan-5-yl)ethanone oxime (36795-33-2)

Guidance literature:

With hydroxylamine hydrochloride; potassium acetate; In ethanol;

Reference yield:

→ 1-(indan-5-yl)ethanone oxime (36795-33-2)

Guidance literature:

Keton, NH2OH*HCl;

DOI:10.1021/jo00867a002

Reference yield: 74.0%

1-(indan-5-yl)ethanone oxime (36795-33-2) → 5-acetamidoindane (59856-06-3)

Guidance literature:

With hydrogenchloride; acetic anhydride; In acetic acid; for 4h;

DOI:10.1039/b102779b

upstream raw materials:

1-indan-5-yl-ethanone

Downstream raw materials:

5-acetamidoindane

Refernces

• 1、 -. "Tricyclic dihydropyridazinones and pharmaceutical compositions containing them". . . Retrieved 2008/06/13.