5H-Pyridazino(3,4-b)(1,4)benzoxazine, 7-chloro-10-(3-dimethylaminopropyl)-2-(4-methylpiperazin-1-yl)-

Base Information

• Chemical Name: 5H-Pyridazino(3,4-b)(1,4)benzoxazine, 7-chloro-10-(3-dimethylaminopropyl)-2-(4-methylpiperazin-1-yl)-
• CAS No.: 62637-30-3
• Molecular Formula: C₂₀H₂₇ClN₆O
• Molecular Weight: 402.927
• DSSTox Substance ID: DTXSID80211692
• Nikkaji Number: J78.842B
• Wikidata: Q83086664
• Mol file: 62637-30-3.mol

Synonyms:BRN 1093647;5H-Pyridazino(3,4-b)(1,4)benzoxazine, 7-chloro-10-(3-dimethylaminopropyl)-2-(4-methylpiperazin-1-yl)-;62637-30-3;C20H27ClN6O;C20-H27-Cl-N6-O;DTXSID80211692;LS-129655;8-Chloro-5-(3-dimethylaminopropyl)-3-(4-methyl-1-piperazinyl)-5H-pyridazino[3,4-b][1,4]benzoxazine

Chemical Property of 5H-Pyridazino(3,4-b)(1,4)benzoxazine, 7-chloro-10-(3-dimethylaminopropyl)-2-(4-methylpiperazin-1-yl)-

Chemical Property:

• Vapor Pressure: 3.84E-14mmHg at 25°C
• Boiling Point: 595.4°C at 760 mmHg
• Flash Point: 313.9°C
• Density: 1.242g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 402.1934872
• Heavy Atom Count: 28
• Complexity: 503

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=C(O3)C=C(C=C4)Cl)CCCN(C)C

Technology Process of 5H-Pyridazino(3,4-b)(1,4)benzoxazine, 7-chloro-10-(3-dimethylaminopropyl)-2-(4-methylpiperazin-1-yl)-

There total 3 articles about 5H-Pyridazino(3,4-b)(1,4)benzoxazine, 7-chloro-10-(3-dimethylaminopropyl)-2-(4-methylpiperazin-1-yl)- 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:

6-chlorobenzo[d]oxazol-2(3H)-one (19932-84-4) → {3-[8-chloro-3-(4-methyl-piperazin-1-yl)-benzo[b]pyridazino[4,3-e][1,4]oxazin-5-yl]-propyl}-dimethyl-amine (62637-30-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaOEt, EtOH, (ii) aq.KOH, (iii) /BRN= 124500/

2: cyclohexanol / 5 h / Heating

With cyclohexanol;

DOI:10.1007/BF00779120

Reference yield:

3-(dimethylamino)propyl chloride hydrochloride (5407-04-5) → {3-[8-chloro-3-(4-methyl-piperazin-1-yl)-benzo[b]pyridazino[4,3-e][1,4]oxazin-5-yl]-propyl}-dimethyl-amine (62637-30-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaOEt, EtOH, (ii) aq.KOH, (iii) /BRN= 124500/

2: cyclohexanol / 5 h / Heating

With cyclohexanol;

DOI:10.1007/BF00779120

Reference yield:

1-methyl-piperazine (109-01-3) + [3-(3,8-dichloro-benzo[b]pyridazino[4,3-e][1,4]oxazin-5-yl)-propyl]-dimethyl-amine (62637-25-6) → {3-[8-chloro-3-(4-methyl-piperazin-1-yl)-benzo[b]pyridazino[4,3-e][1,4]oxazin-5-yl]-propyl}-dimethyl-amine (62637-30-3)

Guidance literature:

With cyclohexanol; for 5h; Heating;

DOI:10.1007/BF00779120

upstream raw materials:

1-methyl-piperazine

[3-(3,8-dichloro-benzo[b]pyridazino[4,3-e][1,4]oxazin-5-yl)-propyl]-dimethyl-amine

6-chlorobenzo[d]oxazol-2(3H)-one

3-(dimethylamino)propyl chloride hydrochloride