2-Phenylpropionaldehyde oxime

Base Information

• Chemical Name: 2-Phenylpropionaldehyde oxime
• CAS No.: 59647-78-8
• Molecular Formula: C9H11 N O
• Molecular Weight: 149.192
• European Community (EC) Number: 261-839-8
• NSC Number: 67342
• Mol file: 59647-78-8.mol

Synonyms:2-Phenylpropionaldehyde oxime;59647-78-8;(NE)-N-(2-phenylpropylidene)hydroxylamine;2-Methyl-2-phenylacetaldehyde oxime;EINECS 261-839-8;AI3-13013;Benzeneacetaldehyde, .alpha.-methyl-, oxime;2-Phenylpropionaldoxime;SCHEMBL2912522;SCHEMBL2912526;NSC67342;NSC 67342;NSC-67342;AKOS006243389;AKOS040749928;Benzeneacetaldehyde, alpha-methyl-, oxime

Chemical Property of 2-Phenylpropionaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.00346mmHg at 25°C
• Boiling Point: 270°C at 760 mmHg
• Flash Point: 157.2°C
• PSA: 32.59000
• Density: 0.99g/cm³
• LogP: 2.25010
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-METHYL-2-PHENYLACETALDEHYDE OXIME AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Phenylpropionaldehyde oxime

There total 21 articles about 2-Phenylpropionaldehyde 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: 97.0%

(2-phenylpropan-1-yloxy)tetrahydro-2H-pyran (874960-60-8) → 2-phenylpropanal oxime (59647-78-8)

Guidance literature:

With trichloroisocyanuric acid; hydroxylamine hydrochloride; In neat (no solvent); at 110 ℃; for 1.5h; Green chemistry;

DOI:10.1080/10426507.2014.990015

Reference yield: 90.0%

2-phenylpropyl trimethylsilyl ether (624286-52-8) → 2-phenylpropanal oxime (59647-78-8)

Guidance literature:

With trichloroisocyanuric acid; hydroxylamine hydrochloride; In neat (no solvent); at 100 ℃; for 1.5h; Green chemistry;

DOI:10.1080/10426507.2014.990015

Reference yield: 83.0%

1-nitro-2-phenylpropene (5670-65-5,15241-24-4,15795-70-7) → 2-phenylpropanal oxime (59647-78-8)

Guidance literature:

With zinc(II) tetrahydroborate; In 1,2-dimethoxyethane; at 25 ℃; for 9h;

DOI:10.1016/S0040-4020(01)89028-1

upstream raw materials:

2-Phenylpropanal

1-nitro-2-phenylpropene

(E)-1-nitro-2-phenyl-1-propene

fraeseol

Downstream raw materials:

2-phenylpropanohydroximoyl chloride

N-methyl-1-phenyl-1-methylacetamide

1-phenylethyl cyanide

(E)-N-(2-phenylprop-1-en-1-yl)acetamide

Refernces

• 1、 Leggio, Antonella,Belsito, Emilia Lucia,Gallo, Sonia,Liguori, Angelo. "One-pot conversion of aldehydes to nitriles mediated by TiCl4". . p. 1512 - 1514. Retrieved 2017/03/23.
• 2、 Aghapour, Ghasem,Abbaszadeh, Zeinab. "Tandem and Selective Conversion of Tetrahydropyranyl and Silyl Ethers to Oximes Catalyzed with Trichloroisocyanuric Acid". . p. 1464 - 1470. Retrieved 2015/09/01.