1-Chloro-4-hydrazinyl-5,6,7,8-tetrahydro-5,8-ethanophthalazine

Base Information

• Chemical Name: 1-Chloro-4-hydrazinyl-5,6,7,8-tetrahydro-5,8-ethanophthalazine
• CAS No.: 79363-47-6
• Molecular Formula: C10H13ClN4
• Molecular Weight: 224.69
• DSSTox Substance ID: DTXSID00452186
• Wikidata: Q82272638
• Mol file: 79363-47-6.mol

Synonyms:79363-47-6;1-Chloro-4-hydrazinyl-5,6,7,8-tetrahydro-5,8-ethanophthalazine;SCHEMBL10964520;DTXSID00452186;OKYVDAQDLSUHPJ-UHFFFAOYSA-N;3-CHLORO-6-HYDRAZINO-4,5-DIAZATRICYCLO[6.2.2(2,7)]DODECA-2(7),3,5-TRIENE;1-Chloro-4-hydrazino-5,6,7,8-tetrahydro-5,8-ethanophthalazine;(6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine;3-Chloro-6-hydrazino-4,5-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-triene

Chemical Property of 1-Chloro-4-hydrazinyl-5,6,7,8-tetrahydro-5,8-ethanophthalazine

Chemical Property:

• PSA: 63.83000
• LogP: 2.94370
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 224.0828741
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3-CHLORO-6-HYDRAZINO-4,5-DIAZATRICYCLO[6.2.2.2,7]DODECA-2(7),3,5-TRIENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCC1C3=C2C(=NN=C3NN)Cl

Technology Process of 1-Chloro-4-hydrazinyl-5,6,7,8-tetrahydro-5,8-ethanophthalazine

There total 2 articles about 1-Chloro-4-hydrazinyl-5,6,7,8-tetrahydro-5,8-ethanophthalazine 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: 74.0%

3,6-dichloro-4,5-diazatricyclo[6.2.2.2,7]dodeca-2(7),3,5-triene (202823-67-4) → 3-chloro-6-hydrazino-4,5-diazatricyclo[6.2.2.2,7]dodeca-2(7),3,5-triene (79363-47-6)

Guidance literature:

With hydrazine hydrate; In ethanol; for 18h; Heating;

DOI:10.1021/jm0407613

Reference yield:

2,3,5,6,7,8-hexahydro-5,8-ethanophthalazine-1,4-dione (202823-65-2) → 3-chloro-6-hydrazino-4,5-diazatricyclo[6.2.2.2,7]dodeca-2(7),3,5-triene (79363-47-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / POCl₃ / 14 h / Heating

2: 74 percent / NH₂NH₂*H₂O / ethanol / 18 h / Heating

With hydrazine hydrate; trichlorophosphate; In ethanol;

DOI:10.1021/jm040883v

Reference yield: 74.0%

4-fluorobenzoyl chloride (403-43-0) + 3-chloro-6-hydrazino-4,5-diazatricyclo[6.2.2.2,7]dodeca-2(7),3,5-triene (79363-47-6) → N'-(4-chloro-5,6,7,8-tetrahydro-5,8-ethanophthalazin-1-yl)-4-fluorobenzohydrazide (848774-84-5)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃; for 4h;

DOI:10.1021/jm040883v

upstream raw materials:

3,6-dichloro-4,5-diazatricyclo[6.2.2.2,7]dodeca-2⁽⁷⁾,3,5-triene

2,3,5,6,7,8-hexahydro-5,8-ethanophthalazine-1,4-dione

Downstream raw materials:

N'-(4-chloro-5,6,7,8-tetrahydro-5,8-ethanophthalazin-1-yl)-4-fluorobenzohydrazide

6-chloro-3-(4-fluorophenyl)-7,8,9,10-tetrahydro-7,10-ethano[1,2,4]triazolo[3,4-a]phthalazine

6-chloro-3-phenyl-7,8,9,10-tetrahydro-(7,10-ethano)-1,2,4-triazolo[3,4-a]phthalazine

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