Inproquone

Base Information

• Chemical Name: Inproquone
• CAS No.: 436-40-8
• Molecular Formula: C₁₆H₂₂N₂O₄
• Molecular Weight: 306.362
• Hs Code.: 2933990090
• NSC Number: 17261
• UNII: C6Y700V0M4
• DSSTox Substance ID: DTXSID00195884
• Nikkaji Number: J5.735E
• Wikidata: Q27275266
• NCI Thesaurus Code: C65919
• Metabolomics Workbench ID: 144744
• ChEMBL ID: CHEMBL462220
• Mol file: 436-40-8.mol

Synonyms:Bayer E39;E39;inprochon;inproquone

Chemical Property of Inproquone

Chemical Property:

• Vapor Pressure: 7.14E-09mmHg at 25°C
• Melting Point: 103.75°C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 466.3°Cat760mmHg
• PKA: -0.18±0.20(Predicted)
• Flash Point: 235.8°C
• PSA: 58.62000
• Density: 1.26g/cm³
• LogP: 0.92160
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 306.15795719
• Heavy Atom Count: 22
• Complexity: 507

Purity/Quality:

98%min ^*data from raw suppliers

INPROQUONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C(=O)C(=C(C1=O)N2CC2)OCCC)N3CC3

Technology Process of Inproquone

There total 4 articles about Inproquone 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:

2,5-bis-aziridin-1-yl-3,6-dichloro-[1,4]benzoquinone (7251-14-1) + sodium n-propoxide (6819-41-6) → 2.5-Bis--3.6-di-propyloxy-benzochinon-(1.4) (436-40-8)

Guidance literature:

With propan-1-ol;

Reference yield:

2,5-bis-aziridin-1-yl-3,6-dibromo-[1,4]benzoquinone (57998-73-9) + sodium n-propoxide (6819-41-6) → 2.5-Bis--3.6-di-propyloxy-benzochinon-(1.4) (436-40-8)

Guidance literature:

With propan-1-ol;

Reference yield:

tetrabromobenzoquinone (488-48-2) → 2.5-Bis--3.6-di-propyloxy-benzochinon-(1.4) (436-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; benzene

2: propan-1-ol

With propan-1-ol; triethylamine; benzene;

upstream raw materials:

2,5-bis-aziridin-1-yl-3,6-dichloro-[1,4]benzoquinone

sodium n-propoxide

2,5-bis-aziridin-1-yl-3,6-dibromo-[1,4]benzoquinone

tetrabromobenzoquinone