Benquinox

Base Information

• Chemical Name: Benquinox
• CAS No.: 495-73-8
• Molecular Formula: C13H11 N3 O2
• Molecular Weight: 241.249
• European Community (EC) Number: 207-807-9
• UNII: XVO47UK8V8
• DSSTox Substance ID: DTXSID2041624
• Nikkaji Number: J6.082H
• Wikidata: Q27155722
• Mol file: 495-73-8.mol

Synonyms:Benquinox;495-73-8;Tserenox;Cerenox;Benquinox [ISO];Benchinox;Benguinox;Cereden;CEREDON;Cereline;Lerenox;Tillantox;n'-(4-nitrosophenyl)benzohydrazide;COBH;Caswell No. 075B;Bayer 15080;Chinonoxime-benzoylhydrazone;Quinone oxime benzoylhydrazone;HSDB 2759;Chinonoxim-benzoylhydrazon [German];Chinonoxim-benzoylhydrazon;EINECS 207-807-9;p-Benzoquinone oxime benzoylhydrazone;BAY 15080;P-BENZOQUINONE 1-BENZOYLHYDRAZON-4-OXIME;UNII-XVO47UK8V8;EPA Pesticide Chemical Code 281100;1,4-Benzoquinone oxime benzoylhydrazone;BRN 3326107;XVO47UK8V8;1,4-Benzoquinone N'-benzoylhydrazone oxime;AI3-25668;Benzoic acid, (4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene) hydrazide;Benzoic acid, (4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene)hydrazide;Benzoic acid, (4-oxo-2,5-cyclohexadien-1-ylidene)hydrazide 4-oxime;0-09-00-00323 (Beilstein Handbook Reference);GBH;QBH;Benzoic acid, (4-oxo-2,5-cyclohexadien-1-ylidene)hydrazide, oxime;Benzoic acid, [4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]hydrazide;BENQUINOX [HSDB];SCHEMBL162249;DTXSID2041624;CHEBI:82066;LS-38067;C18924;Q27155722;2'-(4-hydroxyiminocyclohexa-2,5-dienylidene)benzohydrazide;BENZOIC ACID (4-(HYDROXYIMINO)-2,5-CYCLOHEXADIEN-1-YLIDENE)HYDRAZIDE

Chemical Property of Benquinox

Chemical Property:

• Refractive Index: 1.5600 (estimate)
• Boiling Point: 370.6°Cat760mmHg
• Flash Point: 177.9°C
• PSA: 74.05000
• Density: 1.24g/cm³
• LogP: 2.11950
• Water Solubility.: 5mg/L(temperature not stated)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 241.085126602
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

Benquinox ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 21-25
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: C1=CC=C(C=C1)C(=O)NNC2=CC=C(C=C2)N=O
• Uses: p-benzoquinone 1-benzoylhydrazon-4-oxime is used in the synthesis of P-glycoprotein inhibitors. It is also a compound displaying antifungal and antibacterial activity.

Technology Process of Benquinox

There total 2 articles about Benquinox 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: 77.0%

acetylacetaldehyde dimethyl acetal (5436-21-5) + urea (57-13-6) → 6-methyl-2-pyrimidone hydrochloride (5348-51-6)

Guidance literature:

With hydrogenchloride; In ethanol; for 1h;

Reference yield:

p-benzoquinone oxime (637-62-7) + benzoic hydrazide hydrochloride (1452-58-0) → benzoic acid-(4-hydroxyimino-cyclohexa-2,5-dienylidenehydrazide) (495-73-8)

Guidance literature:

With ethanol; water; at 20 ℃;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + benzoic acid-(4-hydroxyimino-cyclohexa-2,5-dienylidenehydrazide) (495-73-8) → 4-amino-phenol (123-30-8) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

upstream raw materials:

p-benzoquinone oxime

benzoic hydrazide hydrochloride

acetylacetaldehyde dimethyl acetal

urea

Downstream raw materials:

nitrobenzene

4-amino-phenol

benzoic acid

phenol

Refernces