4-(Diethylamino)benzaldehyde oxime

Base Information

• Chemical Name: 4-(Diethylamino)benzaldehyde oxime
• CAS No.: 54376-65-7
• Molecular Formula: C11H16 N2 O
• Molecular Weight: 192.261
• Hs Code.: 2928000090
• European Community (EC) Number: 676-522-3
• ChEMBL ID: CHEMBL3213402
• Mol file: 54376-65-7.mol

Synonyms:4-(diethylamino)benzaldehyde oxime;54376-65-7;213545-01-8;(NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine;4-Diethylaminobenzaldoxime;N,N-diethyl-4-[(hydroxyimino)methyl]aniline;(E)-4-(diethylamino)benzaldehyde oxime;N,N-diethyl-4-[(1E)-(hydroxyimino)methyl]aniline;MLS001004951;4-Diethylaminobenzaldehydeoxime;CHEMBL3213402;DHNWBEYWLRLFHM-FMIVXFBMSA-N;HMS1407P15;MFCD00051801;STK042964;AKOS000502196;MS-8956;SMR000348498;CS-0235438;CS-0368447;EN300-15680;N,N-diethyl-4-[(E)-(hydroxyimino)methyl]aniline;Z49568329

Chemical Property of 4-(Diethylamino)benzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.000309mmHg at 25°C
• Melting Point: 94-96°C
• Boiling Point: 307.7°C at 760 mmHg
• PKA: 11.29±0.10(Predicted)
• Flash Point: 139.9°C
• PSA: 35.83000
• Density: 1g/cm³
• LogP: 2.34090
• Solubility.: soluble in Methanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

4-Diethylaminobenzaldoxime ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Diethylamino)benzaldehyde oxime

There total 3 articles about 4-(Diethylamino)benzaldehyde 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: 94.0%

4-Diethylaminobenzaldehyde (120-21-8) → 4-(N,N-diethylamino)benzaldoxime (54376-65-7)

Guidance literature:

4-Diethylaminobenzaldehyde; With hydroxylamine hydrochloride; In ethanol; water; at 20 ℃; for 0.0166667h; Sealed tube;

In ethanol; water; at 120 ℃; for 1h; Sealed tube; Microwave irradiation;

DOI:10.1016/j.cbi.2019.05.048

Reference yield:

N-<4-(diethylamino)benzylidene>-4-(dimethylamino)aniline (82529-61-1) → 4-(N,N-diethylamino)benzaldoxime (54376-65-7)

Guidance literature:

With ethanol; hydroxylamine hydrochloride;

Reference yield:

N,N-diethylaniline (91-66-7) → 4-(N,N-diethylamino)benzaldoxime (54376-65-7)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated hydrochloric acid

2: alcohol; hydroxylamine hydrochloride

With hydrogenchloride; ethanol; hydroxylamine hydrochloride;

upstream raw materials:

N-<4-(diethylamino)benzylidene>-4-(dimethylamino)aniline

N,N-diethylaniline

4-Diethylaminobenzaldehyde

Downstream raw materials:

4-Diethylamino-benzaldehyde O-(5-amino-2,4-dinitro-phenyl)-oxime

N,N-diethyl-4-cyanoaniline

4-(N,N-diethylamino)benzamide

(C₄H₉)3SnONCHC₆H₄N(C₂H₅)2-4

Refernces

• 1、 Cavalcante, Samir F. de A.,Kitagawa, Daniel A.S.,Rodrigues, Rafael B.,Bernardo, Leandro B.,da Silva, Thiago N.,dos Santos, Wellington V.,Correa, Ana Beatriz de A.,de Almeida, Joyce S.F.D.,Fran?a, Tanos C.C.,Ku?a, Kamil,Simas, Alessandro B.C.. "Synthesis and in vitro evaluation of neutral aryloximes as reactivators of Electrophorus eel acetylcholinesterase inhibited by NEMP, a VX surrogate". . . Retrieved 2019/06/24.