N-[(E)-(4-bromophenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine

Base Information

• Chemical Name: N-[(E)-(4-bromophenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
• CAS No.: 91918-95-5
• Molecular Formula: C₁₈H₁₄BrN₃O₂
• Molecular Weight: 384.232
• NSC Number: 332388
• DSSTox Substance ID: DTXSID60429773
• ChEMBL ID: CHEMBL2057538
• Mol file: 91918-95-5.mol

Synonyms:NSC332388;91918-95-5;CHEMBL2057538;DTXSID60429773;NSC-332388

Chemical Property of N-[(E)-(4-bromophenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine

Chemical Property:

• Vapor Pressure: 4.33E-11mmHg at 25°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 383.02694
• Heavy Atom Count: 24
• Complexity: 456

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C=C3C(=CC2=N1)OCO3)NN=CC4=CC=C(C=C4)Br
• Isomeric SMILES: CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=CC=C(C=C4)Br

Technology Process of N-[(E)-(4-bromophenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine

There total 5 articles about N-[(E)-(4-bromophenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine 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:

benzo[1,3]dioxolo-5-ylamine (14268-66-7) → N-[1-(4-Bromo-phenyl)-meth-(E)-ylidene]-N'-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)-hydrazine (91918-95-5)

Guidance literature:

Multi-step reaction with 5 steps

1: 48 h / Heating

2: neat (no solvent) / 0.33 h

3: POCl₃ / neat (no solvent) / 1 h / 170 °C

4: hydrazine hydrate / ethanol / 24 h / Heating

5: ethanol / 2 h / Heating

With hydrazine hydrate; trichlorophosphate; In ethanol;

Reference yield:

β-(3,4-metilendiossifenilammino)crotonato di etile (91918-88-6) → N-[1-(4-Bromo-phenyl)-meth-(E)-ylidene]-N'-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)-hydrazine (91918-95-5)

Guidance literature:

Multi-step reaction with 4 steps

1: neat (no solvent) / 0.33 h

2: POCl₃ / neat (no solvent) / 1 h / 170 °C

3: hydrazine hydrate / ethanol / 24 h / Heating

4: ethanol / 2 h / Heating

With hydrazine hydrate; trichlorophosphate; In ethanol;

Reference yield:

6-metil-8-cloro-1,3-diossol<4,5-g>chinolina (50593-65-2) → N-[1-(4-Bromo-phenyl)-meth-(E)-ylidene]-N'-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)-hydrazine (91918-95-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / ethanol / 24 h / Heating

2: ethanol / 2 h / Heating

With hydrazine hydrate; In ethanol;

upstream raw materials:

4-bromo-benzaldehyde

6-metil-8-idrazino-1,3-diossol<4,5-g>chinolina

benzo[1,3]dioxolo-5-ylamine

β-(3,4-metilendiossifenilammino)crotonato di etile