4-Methoxybenzaldoxime

Base Information

• Chemical Name: 4-Methoxybenzaldoxime
• CAS No.: 3235-04-9
• Molecular Formula: C₈H₉NO₂
• Molecular Weight: 151.165
• Hs Code.: 2928009090
• DSSTox Substance ID: DTXSID80954133
• Nikkaji Number: J1.657.924F
• Wikidata: Q82933192
• Mol file: 3235-04-9.mol

Synonyms:4-Methoxy-benzaldehyde oxime;4-Methoxybenzaldoxime;3717-22-4;(Z)-4-Methoxybenzaldehyde oxime;4 -methoxybenzaldoxime;SCHEMBL8695977;DTXSID80954133;AR2369;AKOS017263894;N-(4-Methoxybenzylidene)amine N-oxide

Chemical Property of 4-Methoxybenzaldoxime

Chemical Property:

• Vapor Pressure: 0.0136mmHg at 25°C
• Melting Point: 60 °C
• Boiling Point: 247.4°Cat760mmHg
• PKA: 10.89±0.10(Predicted)
• Flash Point: 103.4°C
• PSA: 41.82000
• Density: 1.07g/cm³
• LogP: 1.50330
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

(E)-N-[(4-Methoxyphenyl)methylidene]hydroxylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxybenzaldoxime

There total 73 articles about 4-Methoxybenzaldoxime 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%

C21H31NO4SSi (1028432-10-1) → p-methoxyl benzaldoxime (3717-21-3,3717-22-4,140461-28-5,140461-29-6,3235-04-9)

Guidance literature:

With cesium fluoride; In acetonitrile; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.15227/orgsyn.089.0480

Reference yield: 98.0%

4-Methoxybenzyl alcohol (105-13-5) → p-methoxyl benzaldoxime (3717-21-3,3717-22-4,140461-28-5,140461-29-6,3235-04-9)

Guidance literature:

With [CuZn(benzoate)3(bpy)2]PF₆; hydroxylamine hydrochloride; dihydrogen peroxide; In water; at 70 ℃; for 4h;

DOI:10.1016/j.jorganchem.2018.10.001

Reference yield: 97.0%

hydroxylamine hydrochloride (5470-11-1) + 4-Methoxybenzyl alcohol (105-13-5) → p-methoxyl benzaldoxime (3717-21-3,3717-22-4,140461-28-5,140461-29-6,3235-04-9)

Guidance literature:

With Au/HAP; oxygen; In toluene; at 90 ℃; for 2.5h;

DOI:10.1002/anie.200900802

upstream raw materials:

1-(4-Methoxy-benzylidene)-pyrrolidinium

2-(4-methoxyphenyl)-1,3-dioxolane

4-methoxy-benzaldehyde-[O-(2,4-dinitro-phenyl)-seqtrans-oxime ]

sodium methylate

Downstream raw materials:

3-methyl-4-(4-methoxyphenyl)methyleneisoxazole-5(4H)-one

6,7-dimethoxy-1-(4-methoxy-phenyl)-3-methyl-3,4-dihydro-isoquinoline

(E)-4-methoxybenzaldoxime

4-methoxy-benzylamine

Refernces

• 1、 Jahn, Ullrich,Ma?ek, Tomá?. "Enolate-Based Regioselective Anti-Beckmann C-C Bond Cleavage of Ketones". . p. 11608 - 11632. Retrieved 2021/09/02.
• 2、 Bayrak, Cetin,Menzek, Abdullah,Taskin-Tok, Tugba,Taslimi, Parham,Yavari, Mirali Akbar. "1,3-dipolar cycloaddition reactions of the compound obtaining from cyclopentadiene-PTAD and biological activities of adducts formed selectively". . . Retrieved 2022/01/04.