N-[(2,4-dimethoxyphenyl)methylidene]hydroxylamine

Base Information

• Chemical Name: N-[(2,4-dimethoxyphenyl)methylidene]hydroxylamine
• CAS No.: 31874-34-7
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• Hs Code.: 2928000090
• European Community (EC) Number: 681-814-9
• DSSTox Substance ID: DTXSID20282649
• Mol file: 31874-34-7.mol

Synonyms:2,4-DIMETHOXYBENZALDOXIME;31874-34-7;2,4-dimethoxybenzaldehyde oxime;N-[(2,4-dimethoxyphenyl)methylidene]hydroxylamine;2,4-dimethoxy benzaldoxime;SCHEMBL2009041;2,4-Dimethoxy benzaldehyde oxime;DTXSID20282649;SFDRVCQSVTYHLU-UHFFFAOYSA-N;AKOS030228041;D4851;FT-0610133;D90339;(NE)-N-[(2,4-dimethoxyphenyl)methylidene]hydroxylamine

Chemical Property of N-[(2,4-dimethoxyphenyl)methylidene]hydroxylamine

Chemical Property:

• Vapor Pressure: 0.000372mmHg at 25°C
• Melting Point: 105-108°C
• Refractive Index: 1.501
• Boiling Point: 304.9°Cat760mmHg
• PKA: 10.84±0.10(Predicted)
• Flash Point: 138.2°C
• PSA: 51.05000
• Density: 1.11g/cm³
• LogP: 1.51190
• Solubility.: soluble in Methanol
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dimethoxybenzaldoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C=NO)OC

Technology Process of N-[(2,4-dimethoxyphenyl)methylidene]hydroxylamine

There total 8 articles about N-[(2,4-dimethoxyphenyl)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: 99.0%

2,4-Dimethoxybenzaldehyde (613-45-6) → 2,4-dimethoxybenzaldoxime (31874-34-7)

Guidance literature:

With hydroxylamine hydrochloride; In pyridine; at 20 ℃; for 1h;

Reference yield:

C11H16NO2(1+)*CF3O3S(1-) → 2,4-dimethoxybenzaldoxime (31874-34-7)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In water; acetonitrile; at 20 ℃; for 19h;

DOI:10.1016/j.tet.2020.131255

Reference yield:

2,4 dimethoxybenzoic acid (91-52-1) → 2,4-dimethoxybenzaldoxime (31874-34-7)

Guidance literature:

With hydroxylamine;

upstream raw materials:

2,4-Dimethoxybenzaldehyde

2,4 dimethoxybenzoic acid

1,3-Dimethoxybenzene

hydrogenchloride

Downstream raw materials:

N-(2,4-dimethoxybenzyl)-hydroxylamine

2,4 dimethoxybenzoic acid

Refernces

• 1、 Calixto, Stephane Lima,Carvalho, Guilherme da Silva Louren?o,Coimbra, Elaine Soares,Granato, Juliana da Trindade,Louren?o, Maria Cristina da Silva,Wardell, James,da Costa, Cristiane Fran?a,de Souza, Marcus Vinicius Nora. "Synthesis and SAR study of simple aryl oximes and nitrofuranyl derivatives with potent activity against Mycobacterium tuberculosis". . p. 12 - 20. Retrieved 2020/02/06.
• 2、 Nakano, Ryuhta,Togo, Hideo. "Efficient transformation of electron-rich arenes into diethyl 3-arylisoxazole-4,5-dicarboxylates". . . Retrieved 2020/05/26.