4-((Hydroxyimino)methyl)benzene-1,3-diol

Base Information

• Chemical Name: 4-((Hydroxyimino)methyl)benzene-1,3-diol
• CAS No.: 5399-68-8
• Molecular Formula: C7H7 N O3
• Molecular Weight: 153.137
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID801294581
• Mol file: 5399-68-8.mol

Synonyms:Oprea1_819869;DTXSID801294581;4-((hydroxyimino)methyl)benzene-1,3-diol;FT-0646303

Chemical Property of 4-((Hydroxyimino)methyl)benzene-1,3-diol

Chemical Property:

• Vapor Pressure: 0.000528mmHg at 25°C
• Boiling Point: 578.5°Cat760mmHg
• Flash Point: 303.7°C
• PSA: 73.05000
• Density: 1.319g/cm³
• LogP: 0.90590
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dihydroxybenzaldehydeoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)O)C=NO

Technology Process of 4-((Hydroxyimino)methyl)benzene-1,3-diol

There total 2 articles about 4-((Hydroxyimino)methyl)benzene-1,3-diol 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: 97.0%

2,4-Dihydroxybenzaldehyde (95-01-2) → 2,4-dihydroxyphenylaldoxime (5399-68-8)

Guidance literature:

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

Reference yield:

recorcinol (108-46-3) → 2,4-dihydroxyphenylaldoxime (5399-68-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trichlorophosphate / 1 h / Inert atmosphere; Cooling with ice

1.2: 12 h / 40 °C

2.1: sodium hydroxide; hydroxylamine hydrochloride / ethanol / 4 h / Reflux

With hydroxylamine hydrochloride; sodium hydroxide; trichlorophosphate; In ethanol; 1.2: |Vilsmeier-Haack Formylation;

DOI:10.1039/C6NJ02815B

Reference yield: 98.0%

2,4-dihydroxyphenylaldoxime (5399-68-8) → 2,4-dihydroxybenzonitrile (64419-24-5)

Guidance literature:

With triethylamine; In acetonitrile; at 80 ℃; for 16h;

DOI:10.1080/00397911.2012.667861

upstream raw materials:

2,4-Dihydroxybenzaldehyde

recorcinol

Downstream raw materials:

4-cyano-1,3-phenylene diacetate

1,2-benzoxazol-6-ol

2,4-dihydroxybenzonitrile

(4S)-4,5-dihydro-2-(2',4'-dihydroxyphenyl)-4-methyloxazole

Refernces

• 1、 Belkhettab, Ilyas,Boutamine, Sultana,Slaouti, Hennia,Zid, Mohamed Faouzi,Boughzala, Habib,Hank, Zakia. "Synthesis, characterization and structural study of new vanadium complexes with phenolic oxime ligands". . . Retrieved 2020.
• 2、 -. "METHOD FOR PREPARING BENZOIC ACID AMIDE COMPOUND". Paragraph 0104-0106. . Retrieved 2018/07/15.