3'-Aminoacetophenone oxime

Base Information

• Chemical Name: 3'-Aminoacetophenone oxime
• CAS No.: 6011-18-3
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 2928000090
• NSC Number: 85457
• DSSTox Substance ID: DTXSID90418291
• Nikkaji Number: J81.130K
• Mol file: 6011-18-3.mol

Synonyms:3'-Aminoacetophenone oxime;6011-18-3;(NZ)-N-[1-(3-aminophenyl)ethylidene]hydroxylamine;m-Aminoacetophenone oxime;Acetophenone, 3'-amino-, oxime;DTXSID90418291;NSC85457;NSC-85457;AKOS037652947;Ethanone, 1-(3-aminophenyl)-, oxime;FS-5310;F72633;N-[(1Z)-1-(3-Aminophenyl)ethylidene]hydroxylamine

Chemical Property of 3'-Aminoacetophenone oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 340.652°C at 760 mmHg
• Flash Point: 159.821°C
• PSA: 58.61000
• Density: 1.15g/cm³
• LogP: 2.04820
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

3'-Aminoacetophenoneoxime 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C1=CC(=CC=C1)N
• Isomeric SMILES: C/C(=N/O)/C1=CC(=CC=C1)N

Technology Process of 3'-Aminoacetophenone oxime

There total 3 articles about 3'-Aminoacetophenone 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: 76.3%

1-(3-aminophenyl)ethanone (99-03-6) → 1-(3-aminophenyl)ethanone oxime (6011-18-3)

Guidance literature:

With sodium hydroxide; hydroxylamine sulfate; In diethyl ether; for 3h; Heating;

Reference yield:

1-(3-Amino-phenyl)-ethanone O-allyl-oxime (106023-76-1) → 1-(3-aminophenyl)ethanone oxime (6011-18-3)

Guidance literature:

With triethylammonium formate; Pd(PPh₃)(OAc)2; In ethanol; for 1h; Yield given; Heating;

DOI:10.1016/S0040-4039(00)96563-8

Reference yield:

m-nitroacetophenone oxime (7471-32-1) → 1-(3-aminophenyl)ethanone oxime (6011-18-3)

Guidance literature:

With ammonium sulfide;

upstream raw materials:

m-nitroacetophenone oxime

1-(3-aminophenyl)ethanone

1-(3-Amino-phenyl)-ethanone O-allyl-oxime

Downstream raw materials:

α-(3-aminophenyl)ethylamine

(CH₃)3SnONC(CH₃)C₆H₄NH₂

m-acetamide aniline

Refernces

• 1、 Wang, Li,Gao, Su-Xia,Zhang, Yang,Li, Gang,Zhang, Yu-Jie. "Synthesis and structural characterization of four novel bisoxime-type compounds based on 2,2'-(Ethylenedioxy)bisbenzaldehyde". . p. 6272 - 6274. Retrieved 2015/02/19.
• 2、 Lovering, Frank,Kirincich, Steve,Wang, Weiheng,Combs, Kerry,Resnick, Lynn,Sabalski, Joan E.,Butera, John,Liu, Julie,Parris, Kevin,Telliez. "Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)". experimental part. p. 3342 - 3351. Retrieved 2009/09/08.