4-[(Hydroxyimino)methyl]-2-methoxyphenol

Base Information

• Chemical Name: 4-[(Hydroxyimino)methyl]-2-methoxyphenol
• CAS No.: 2874-33-1
• Molecular Formula: C8H9 N O3
• Molecular Weight: 167.164
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID70951393
• Mol file: 2874-33-1.mol

Synonyms:vanillin-oxime;vanillin aldoxime;SCHEMBL2568930;DTXSID70951393;AKOS017263692;FT-0634523;4-[(HYDROXYIMINO)METHYL]-2-METHOXYPHENOL

Chemical Property of 4-[(Hydroxyimino)methyl]-2-methoxyphenol

Chemical Property:

• Vapor Pressure: 4.73E-06mmHg at 25°C
• Melting Point: 118-121°C
• Boiling Point: 342.9°Cat760mmHg
• PKA: 9.71±0.31(Predicted)
• Flash Point: 161.2°C
• PSA: 62.05000
• Density: 1.27g/cm³
• LogP: 1.20890
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Vanillin oxime, 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-[(Hydroxyimino)methyl]-2-methoxyphenol

There total 8 articles about 4-[(Hydroxyimino)methyl]-2-methoxyphenol 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%

vanillin (121-33-5,8014-42-4) → vanillin oxime (2874-33-1)

Guidance literature:

With hydroxyammonium sulfate; sodium acetate; In ethanol; for 4h; Reflux;

DOI:10.1039/c7ra10497a

Reference yield: 83.0%

acetic acid 4-(hydroxyimino-methyl)-2-methoxy-phenyl ester → vanillin oxime (2874-33-1)

Guidance literature:

With sodium perborate; In methanol; at 25 ℃; for 0.5h;

DOI:10.1039/b203766c

Reference yield:

vanillin (121-33-5,8014-42-4) → vanillin oxime (2874-33-1) + 3-methoxy-4-hydroxybenzonitrile (4421-08-3)

Guidance literature:

With hydroxylamine hydrochloride; FeOO₂₈₀; In toluene; for 6h; Heating;

DOI:10.1080/00397910008086903

upstream raw materials:

vanillin

vanilline phenylhydrazone

4-(hydrazonomethyl)-2-methoxyphenol

4-((2-(1H-tetrazol-5-yl)hydrazono)methyl)-2-methoxyphenol

Downstream raw materials:

vanillin

Vanillylamin

Phosphoric acid 4-cyano-2-methoxy-phenyl ester diethyl ester

4-benzyloxy-3-methoxybenzaldehyde oxime

Refernces

• 1、 -. "Vanillin isoxazole compound and preparation method and application thereof". Paragraph 0104-0108. . Retrieved 2021/07/24.
• 2、 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.