Ccris 3569

Base Information

• Chemical Name: Ccris 3569
• CAS No.: 125276-71-3
• Molecular Formula: C21H11NO3
• Molecular Weight: 325.3169
• DSSTox Substance ID: DTXSID60925063
• Wikidata: Q82899316

Synonyms:125276-71-3;CCRIS 3569;syn-(+-)-Dibenz(a,h)acridine-3,4-diol-1,2-epoxide;DTXSID60925063;2-Hydroxybenzo[h][1]benzoxireno[2,3-a]acridin-3(6H)-one;SYN-(+/-)-DIBENZ[A,H]ACRIDINE-3,4-DIOL-1,2-EPOXIDE

Chemical Property of Ccris 3569

Chemical Property:

• Vapor Pressure: 4.54E-20mmHg at 25°C
• Boiling Point: 691.4°Cat760mmHg
• Flash Point: 371.9°C
• Density: 1.61g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 325.07389321
• Heavy Atom Count: 25
• Complexity: 870

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2NC4=CC=C5C(=C6C(=C(C5=O)O)O6)C4=C3

Technology Process of Ccris 3569

There total 7 articles about Ccris 3569 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: 67.0%

trans-3,4-dihydroxy-3,4-dihydrodibenzacridine (102421-84-1) → 3α,4β-dihydroxy-1α,2α-epoxy-1,2,3,4-tetrahydrodibenzacridine (102421-85-2,102491-85-0,125276-71-3,125276-72-4)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; for 1.5h; Ambient temperature;

DOI:10.1021/jo00363a008

Reference yield: 67.0%

2α-bromo-1β,3α,4β-trihydroxy-1,2,3,4-tetrahydrodibenzacridine (102421-86-3) → 3α,4β-dihydroxy-1β,2β-epoxy-1,2,3,4-tetrahydrodibenzacridine (102421-85-2,102491-85-0,125276-71-3,125276-72-4)

Guidance literature:

With Amberlite-400; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1021/jo00363a008

Reference yield:

trans-3,4-dihydroxy-3,4-dihydrodibenzacridine (102421-84-1) → 3α,4β-dihydroxy-1β,2β-epoxy-1,2,3,4-tetrahydrodibenzacridine (102421-85-2,102491-85-0,125276-71-3,125276-72-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / H₂O, N-bromoacetamide (NBA), 4 N HCl / tetrahydrofuran / 0.5 h / 0 - 5 °C

2: 67 percent / Amberlite-400 / tetrahydrofuran / 2 h / Ambient temperature

With hydrogenchloride; Amberlite-400; water; N-bromoacetamide; In tetrahydrofuran;

DOI:10.1021/jo00363a008

upstream raw materials:

trans-3,4-dihydroxy-3,4-dihydrodibenzacridine

trans-3,4-diacetoxy-3,4-dihydrodibenzacridine

1-bromo-3α,4β-diacetoxy-1,2,3,4-tetrahydrodibenzacridine

2α-bromo-1β,3α,4β-trihydroxy-1,2,3,4-tetrahydrodibenzacridine

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