N-[(2-nitrophenyl)methylidene]hydroxylamine

Base Information

• Chemical Name: N-[(2-nitrophenyl)methylidene]hydroxylamine
• CAS No.: 6635-41-2
• Molecular Formula: C7H6 N2 O3
• Molecular Weight: 166.136
• Hs Code.: 2928000090
• European Community (EC) Number: 229-634-8
• DSSTox Substance ID: DTXSID30984980
• Mol file: 6635-41-2.mol

Synonyms:2-Nitrobenzaldoxime;6635-41-2;2-Nitrobenzaldehyde oxime;o-Nitrobenzaldoxim;N-[(2-nitrophenyl)methylidene]hydroxylamine;DTXSID30984980;AKOS030228033;FT-0613177

Chemical Property of N-[(2-nitrophenyl)methylidene]hydroxylamine

Chemical Property:

• Appearance/Colour: light yellow powder
• Vapor Pressure: 0.000366mmHg at 25°C
• Melting Point: 98-100 °C
• Refractive Index: 1.5880 (estimate)
• Boiling Point: 305.2°C at 760 mmHg
• PKA: 10.08±0.10(Predicted)
• Flash Point: 138.4°C
• PSA: 78.41000
• Density: 1.33g/cm³
• LogP: 1.92610
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 166.03784206
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

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

2-nitrobenzaldoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: T,Xn
• Statements: 36/37/38-25-20-20/21/22
• Safety Statements: 45-36/37/39-26-22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=NO)[N+](=O)[O-]

Technology Process of N-[(2-nitrophenyl)methylidene]hydroxylamine

There total 22 articles about N-[(2-nitrophenyl)methylidene]hydroxylamine 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: 98.0%

C-(2-nitrophenyl)-N-methyl-nitrone (41106-02-9) → N-methylhydroxyamine hydrochloride (4229-44-1) + 2-nitrobenzaldehyde oxime (3717-25-7,4836-00-4,6635-41-2)

Guidance literature:

With hydroxylamine hydrochloride; In methanol; diethyl ether; at 20 ℃; for 4h;

DOI:10.1080/00397910500191169

Reference yield: 98.0%

2-nitro-benzaldehyde (552-89-6) → 2-nitrobenzaldehyde oxime (3717-25-7,4836-00-4,6635-41-2)

Guidance literature:

With hydroxylamine hydrochloride; at 70 ℃; for 0.05h; Catalytic behavior; Microwave irradiation; Green chemistry;

DOI:10.1007/s00706-013-1101-9

Reference yield: 93.0%

C-(2-nitrophenyl)-N-(2,3-dimethoxybenzyl)-nitrone (868775-48-8,919112-41-7) → N-(2,3-dimethoxybenzyl)hydroxylamine hydrochloride + 2-nitrobenzaldehyde oxime (3717-25-7,4836-00-4,6635-41-2)

Guidance literature:

With hydroxylamine hydrochloride; In methanol; diethyl ether; at 20 ℃; for 4h;

DOI:10.1080/00397910500191169

upstream raw materials:

2-nitro-benzaldehyde

C-(2-nitrophenyl)-N-benzyl-nitrone

C-(2-nitrophenyl)-N-(2,3-dimethoxybenzyl)-nitrone

C-(2-nitrophenyl)-N-methyl-nitrone

Downstream raw materials:

(E)-2-nitrobenzaldehyde oxime

2-nitrobenzamide

2-aminobenzaldehyde oxime

2-hydroxyamino-benzaldehyde-oxime

Refernces

• 1、 Aksenov, Alexander V.,Aksenov, Dmitrii A.,Aksenov, Nicolai A.,Grishin, Igor Yu.,Malyuga, Vladimir V.,Nobi, Mezvah A.,Rubin, Michael. "Electrophilically activated nitroalkanes in synthesis of 3,4-dihydroquinozalines". . . Retrieved 2021/08/03.
• 2、 Hsueh, Nai-Chen,Chen, Shin-Mei,Lin, Chun-Yi,Chang, Meng-Yang. "HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines". . p. 1047 - 1059. Retrieved 2021/02/16.