1-Indanone oxime

Base Information

• Chemical Name: 1-Indanone oxime
• CAS No.: 68253-35-0
• Molecular Formula: C9H9 N O
• Molecular Weight: 147.177
• European Community (EC) Number: 269-486-1
• NSC Number: 186236
• DSSTox Substance ID: DTXSID501286070
• Mol file: 68253-35-0.mol

Synonyms:1-Indanone oxime;68253-35-0;indan-1-one oxime;3349-60-8;(NE)-N-(2,3-dihydroinden-1-ylidene)hydroxylamine;EINECS 269-486-1;(E)-2,3-Dihydro-1H-inden-1-one oxime;2,3-dihydro-1H-inden-1-one oxime;NSC186236;N-(2,3-dihydroinden-1-ylidene)hydroxylamine;N-(2,3-dihydro-1H-inden-1-ylidene)hydroxylamine;1-Indanone oxime, 98%;SCHEMBL1201517;DTXSID501286070;MFCD00082974;AKOS008939682;NSC-186236;(E)-2,3-Dihydro-1H-inden-1-oneoxime;AM806409;(1E)-2,3-Dihydro-1H-inden-1-one oxime;CS-0036537;A821797;2,3-Dihydro-1H-inden-1-one oxime;N-[(1E)-2,3-dihydro-1H-inden-1-ylidene]hydroxylamine

Chemical Property of 1-Indanone oxime

Chemical Property:

• Vapor Pressure: 0.000524mmHg at 25°C
• Melting Point: 146 °C
• Boiling Point: 299.7°Cat760mmHg
• PKA: 11.37±0.20(Predicted)
• Flash Point: 179.9°C
• PSA: 32.59000
• Density: 1.2g/cm³
• LogP: 1.81110
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=NO)C2=CC=CC=C21
• Isomeric SMILES: C1C/C(=N\O)/C2=CC=CC=C21

Technology Process of 1-Indanone oxime

There total 23 articles about 1-Indanone oxime 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%

inden-1-one (83-33-0) → indan-1-one oxime (68253-35-0,100485-57-2,3349-60-8)

Guidance literature:

With hydroxylamine hydrochloride;

DOI:10.1021/jo902259u

Reference yield: 94.0%

inden-1-one (83-33-0) → (E)-indan-1-one oxime (68253-35-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; for 5h; Reflux;

DOI:10.1016/j.tetasy.2012.05.008

Reference yield: 93.0%

→ indan-1-one oxime (68253-35-0,100485-57-2,3349-60-8)

Guidance literature:

upstream raw materials:

2-(2-bromoethyl)benzaldehyde

3-(2-Iodophenyl)propanal

6-chloro-1-indanone

inden-1-one

Downstream raw materials:

3,4-dihydro-2(1H)-quinolone

3,4-dihydroisoquinolin-1(2H)-one

N-((1S,3aR,7aR)-octahydro-1H-inden-1-yl)acetamide

Refernces

• 1、 Andersson, Pher G.,Massaro, Luca,Peters, Bram B. C.,Wu, Haibo,Yang, Jianping,Zheng, Jia. "Asymmetric Full Saturation of Vinylarenes with Cooperative Homogeneous and Heterogeneous Rhodium Catalysis". supporting information. p. 20377 - 20383. Retrieved 2021/12/03.
• 2、 Liu, Rui-Hua,Shen, Zhen-Yao,Wang, Cong,Loh, Teck-Peng,Hu, Xu-Hong. "Selective Dehydrogenative Acylation of Enamides with Aldehydes Leading to Valuable β-Ketoenamides". supporting information. p. 944 - 949. Retrieved 2020/02/15.