3-Chloro-5,6,7,8-tetrahydrocinnoline

Base Information

• Chemical Name: 3-Chloro-5,6,7,8-tetrahydrocinnoline
• CAS No.: 32078-92-5
• Molecular Formula: C₈H₉ClN₂
• Molecular Weight: 168.626
• European Community (EC) Number: 870-279-9
• DSSTox Substance ID: DTXSID201288934

Synonyms:3-chloro-5,6,7,8-tetrahydrocinnoline;32078-92-5;SCHEMBL3619408;DTPZLIYQNKOBRP-UHFFFAOYSA-N;DTXSID201288934;MFCD16547518;AKOS011342005;SY181644;EN300-60240;F82300;F8880-5510;Z935132528

Chemical Property of 3-Chloro-5,6,7,8-tetrahydrocinnoline

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.0454260
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

3-chloro-5,6,7,8-tetrahydrocinnoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NN=C(C=C2C1)Cl

Technology Process of 3-Chloro-5,6,7,8-tetrahydrocinnoline

There total 7 articles about 3-Chloro-5,6,7,8-tetrahydrocinnoline 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: 20.0%

Cyclohexyl<1,2-c>-3(2H)pyridazinone (5468-36-0) → 3-Chlorocyclohexyl<1,2-c>pyridazine (32078-92-5)

Guidance literature:

With trichlorophosphate; at 90 - 100 ℃;

DOI:10.1002/ardp.19893220602

Reference yield:

ethyl 2-(2-oxocyclohexyl)acetate (24731-17-7) → 3-Chlorocyclohexyl<1,2-c>pyridazine (32078-92-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 57 percent / hydrazine hydrate / Heating

2: 47 percent / sodium salt of m-nitrobenzene sulphonic acid, NaOH / H₂O / 0.67 h / Heating

3: 20 percent / POCl₃ / 90 - 100 °C

With sodium hydroxide; hydrazine hydrate; sodium 3-nitrobenzenesulfonate; trichlorophosphate; In water;

DOI:10.1002/ardp.19893220602

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 3-Chlorocyclohexyl<1,2-c>pyridazine (32078-92-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / ethanol

2: 75 percent / hydrazine hydrate / ethanol / 4 h / Heating

3: 20 percent / POCl₃ / 90 - 100 °C

With hydrazine hydrate; trichlorophosphate; In ethanol;

DOI:10.1002/ardp.19893220602

upstream raw materials:

Cyclohexyl<1,2-c>-3(2H)pyridazinone

ethyl 2-(2-oxocyclohexyl)acetate

cyclohexanone

2-Morpholino-2-(2-oxo-cyclohexyl)-acetic acid morpholinium salt

Downstream raw materials:

5,6,7,8-Tetrahydro-cinnolin

3-Methoxy-5,6,7,8-tetrahydro-cinnolin

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