Benzaldehyde, 4-hydroxy-, oxime

Base Information

• Chemical Name: Benzaldehyde, 4-hydroxy-, oxime
• CAS No.: 699-06-9
• Molecular Formula: C₇H₇NO₂
• Molecular Weight: 137.138
• DSSTox Substance ID: DTXSID301034613
• Mol file: 699-06-9.mol

Synonyms:4-(hydroxyiminomethyl)phenol;4-hydroxy-benzaldehyde oxime;SCHEMBL76630;SCHEMBL8157203;DTXSID301034613;AKOS017263549;Benzaldehyde, 4-hydroxy-, oxime, (E)-(9CI)

Chemical Property of Benzaldehyde, 4-hydroxy-, oxime

Chemical Property:

• Vapor Pressure: 0.000195mmHg at 25°C
• Melting Point: 111-112oC
• Boiling Point: 292.5°C at 760 mmHg
• PKA: 9.65±0.26(Predicted)
• Flash Point: 130.7°C
• PSA: 52.82000
• Density: 1.42g/cm³
• LogP: 1.20030
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

4-[(hydroxyimino)methyl]phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NO)O

Technology Process of Benzaldehyde, 4-hydroxy-, oxime

There total 15 articles about Benzaldehyde, 4-hydroxy-, oxime 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: 100.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-hydroxybenzaldehyde oxime (699-06-9,60221-52-5,60221-53-6)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; for 1h; Reflux;

Reference yield: 92.0%

(4-hydroxyphenyl)methanol (623-05-2) → 4-hydroxybenzaldehyde oxime (699-06-9,60221-52-5,60221-53-6)

Guidance literature:

(4-hydroxyphenyl)methanol; With dihydrogen peroxide; at 20 ℃; for 0.166667h; Green chemistry;

With hydroxylamine hydrochloride; for 8h; Catalytic behavior; Green chemistry;

DOI:10.1016/j.molstruc.2019.03.008

Reference yield: 90.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-hydroxybenzaldoxime (699-06-9,60221-52-5,60221-53-6) + (E)-4-hydroxybenzaldehyde oxime (60221-52-5)

Guidance literature:

With hydroxylamine hydrochloride; zinc(II) oxide; at 80 ℃; for 0.0833333h;

DOI:10.1055/s-2002-31964

upstream raw materials:

4-hydroxy-benzaldehyde

sodium salt of nitromethane

phenol

carbonic acid dimethyl ester

Downstream raw materials:

4-hydroxy-3-nitrobenzaldehyde

2-Hydroxy-4-(4-hydroxy-phenyl)-4-oxo-butyric acid ethyl ester

4-Hydroxy-6-(4-hydroxy-phenyl)-4,5-dihydro-2H-pyridazin-3-one

6-(4-hydroxyphenyl)-3(2H)-pyridazinone