1,3-Diphenylacetone oxime

Base Information

• Chemical Name: 1,3-Diphenylacetone oxime
• CAS No.: 1788-31-4
• Molecular Formula: C15H15NO
• Molecular Weight: 225.29
• Hs Code.: 2928000090
• European Community (EC) Number: 217-251-9
• NSC Number: 59140,4083
• DSSTox Substance ID: DTXSID90170544
• Nikkaji Number: J203.183C
• Mol file: 1788-31-4.mol

Synonyms:1788-31-4;Dibenzyl ketoxime;1,3-Diphenylacetone oxime;1,3-Diphenylpropan-2-one oxime;2-Propanone, 1,3-diphenyl-, oxime;N-(1,3-diphenylpropan-2-ylidene)hydroxylamine;EINECS 217-251-9;Dibenzylketoxim;NSC4083;2-Propanone,1,3-diphenyl-,oxime;DL-Threo-Phenylserine;Maybridge4_000477;Dibenzyl ketoxime, 98+%;1,3-Diphenylacetone oxime #;1,3-Diphenylpropan-2-oneoxime;SCHEMBL3966062;1,3-diphenyl-2-propanone oxime;DTXSID90170544;HMS1522F15;NSC 4083;NSC-4083;NSC59140;MFCD00015453;NSC 59140;NSC-59140;AKOS002250134;IDI1_031059;NCGC00177539-01;CS-0358037;FT-0606714;BRD-K89577900-001-01-5

Chemical Property of 1,3-Diphenylacetone oxime

Chemical Property:

• Appearance/Colour: White or pale yellow crystalline powder
• Vapor Pressure: 2.2E-07mmHg at 25°C
• Melting Point: 122-124 °C
• Refractive Index: 1.556
• Boiling Point: 407.8 °C at 760 mmHg
• Flash Point: 262.8 °C
• PSA: 32.59000
• Density: 1.02 g/cm³
• LogP: 3.30200
• Water Solubility.: Insoluble in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 225.115364102
• Heavy Atom Count: 17
• Complexity: 215

Purity/Quality:

99%, ^*data from raw suppliers

1,3-DIPHENYLACETONE OXIME Aldrich ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=NO)CC2=CC=CC=C2
• Uses: Dibenzyl ketoxime, is used as an intermediate for the preparation of cis-2-benzyl-3-phenylaziridine by reaction with lithium aluminum hydride. It is also used as a pharmaceutical intermediate.

Technology Process of 1,3-Diphenylacetone oxime

There total 6 articles about 1,3-Diphenylacetone 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%

1,3-Diphenylpropanone (102-04-5) → 1,3-diphenylpropan-2-one oxime (1788-31-4)

Guidance literature:

With acetic acid; acetone oxime; at 135 ℃; for 1.5h;

Reference yield: 85.0%

bis(4-ethylphenyl)methanone (21192-56-3) → 1,3-diphenylpropan-2-one oxime (1788-31-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; at 25 ℃;

Reference yield: 57.0%

1,3-Diphenylpropanone (102-04-5) → 1,3-diphenylpropan-2-one oxime (1788-31-4) + 1-phenylpropan-2-one oxime (13213-36-0)

Guidance literature:

With sodium hydroxide; hydroxylamine; In water; isopropyl alcohol; for 0.25h; Ambient temperature;

upstream raw materials:

1,3-Diphenylpropanone

ammonia

ethanol

hydroxylamine hydrochloride

Downstream raw materials:

2-nitro-2-nitroso-1,3-diphenyl-propane

1-benzyl-2-phenylethylamine

2-chloro-2-nitroso-1,3-diphenylpropane

N-(1,3-Diphenyl-2-propyl)-hydroxylamin

Refernces

• 1、 Liu, Yinghui,Wei, Yongjiao,Xie, Lan-Gui. "Dehydrative Beckmann rearrangement and the following cascade reactions". supporting information. . Retrieved 2021/11/16.
• 2、 Han, Ziwei,Shen, Subo,Zheng, Feng,Hu, Han,Zhang, Jianmin,Zhu, Shizheng. "Copper-catalyzed synthesis of oxime ethers from iminoxy radical (C[dbnd]N–O[rad]) and maleimides via radical addition". supporting information. . Retrieved 2019/09/30.