Benzonitrile, 4-[(E)-(hydroxyimino)methyl]- (9CI)

Base Information

• Chemical Name: Benzonitrile, 4-[(E)-(hydroxyimino)methyl]- (9CI)
• CAS No.: 52707-54-7
• Molecular Formula: C8H6N2O
• Molecular Weight: 146.148
• Hs Code.: 2928000090
• Mol file: 52707-54-7.mol

Synonyms:Benzonitrile, 4-[(E)-(hydroxyimino)methyl]- (9CI)

Chemical Property of Benzonitrile, 4-[(E)-(hydroxyimino)methyl]- (9CI)

Chemical Property:

• PSA: 56.38000
• LogP: 1.36638

Purity/Quality:

99% ^*data from raw suppliers

4-CyanobenzaldehydeOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 4-[(E)-(hydroxyimino)methyl]- (9CI)

There total 3 articles about Benzonitrile, 4-[(E)-(hydroxyimino)methyl]- (9CI) 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%

4-cyanobenzaldehyde (105-07-7) → 4-cyanobenzaldehyde oxime (52707-54-7,52707-59-2,64847-77-4)

Guidance literature:

With hydroxyammonium sulfate; In methanol; at 55 - 60 ℃; for 3h;

DOI:10.1021/jo9612537

Reference yield: 52.0%

4-cyanobenzaldehyde (105-07-7) → (E)-4-((hydroxyamino)methyl)benzonitrile (52707-54-7)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In methanol; Heating;

DOI:10.1135/cccc20040397

Reference yield:

4-Cyanobenzyl alcohol (874-89-5) → 4-cyanobenzaldehyde oxime (52707-54-7,52707-59-2,64847-77-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; fluorosulfonyl fluoride; dimethyl sulfoxide / 12 h / 20 °C

2: hydroxylamine hydrochloride; potassium carbonate / 20 °C

With fluorosulfonyl fluoride; hydroxylamine hydrochloride; potassium carbonate; dimethyl sulfoxide;

DOI:10.1002/ejoc.201900478

upstream raw materials:

4-cyanobenzaldehyde

4-Cyanobenzyl alcohol

Downstream raw materials:

[3-(4-cyano-phenyl)-4,5-dihydro-isoxazol-5-yl]-acetic acid

4-(5-butyl-4,5-dihydroisoxazol-3-yl)benzonitrile

4-(4,5-dihydro-5-phenylisoxazol-3-yl)benzonitrile

C₂₀H₁₆N₂O₄

Refernces

• 1、 Zarenkiewicz, Jessica,Khodade, Vinayak S.,Toscano, John P.. "Reaction of Nitroxyl (HNO) with Hydrogen Sulfide and Hydropersulfides". . p. 868 - 877. Retrieved 2021/01/14.
• 2、 Umm-E-Farwa,Ullah, Saeed,Khan, Maria Aqeel,Zafar, Humaira,Atia-tul-Wahab,Younus, Munisaa,Choudhary, M. Iqbal,Basha, Fatima Z.. "Dibenzazepine-linked isoxazoles: New and potent class of α-glucosidase inhibitors". supporting information. . Retrieved 2021/05/10.