5-chloro-6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalene

Base Information

• Chemical Name: 5-chloro-6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalene
• CAS No.: 1313733-33-3
• Molecular Formula: C₁₅H₁₁ClF₃N₅O₂
• Molecular Weight: 385.733
• Mol file: 1313733-33-3.mol

Synonyms:5-chloro-6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalene

Chemical Property of 5-chloro-6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalene

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-chloro-6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalene

There total 3 articles about 5-chloro-6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalene 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: 22.0%

3-(trifluoromethoxy)benzohydrazide (321195-88-4) + 5,8-dichloro-4-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]oxazine (1259224-16-2) → 5-chloro-9-methyl-3-(3-trifluoromethoxy-phenyl)-8,9-dihydro-7H-6-oxa-1,2,3a,4,9-pentaaza-cyclopenta[a]naphthalene (1313733-32-2) + 5-chloro-6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalene (1313733-33-3)

Guidance literature:

In butan-1-ol; at 185 ℃; for 1.5h; Microwave irradiation;

Reference yield:

3,4-dichloro-5-<(2-hydroxyethyl)methylamino>-pyridazine (66643-51-4) → 5-chloro-6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalene (1313733-33-3)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium tert-butylate / tetrahydrofuran / Reflux

2: NCS / acetonitrile / 3 h / 50 °C

3: butan-1-ol / 1.5 h / 185 °C / Microwave irradiation

With potassium tert-butylate; In tetrahydrofuran; acetonitrile; butan-1-ol;

Reference yield:

8-chloro-3,4-dihydro-4-methyl-2H-pyridazino<4,5-b>-1,4-oxazine (66643-52-5) → 5-chloro-6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalene (1313733-33-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NCS / acetonitrile / 3 h / 50 °C

2: butan-1-ol / 1.5 h / 185 °C / Microwave irradiation

With NCS; In acetonitrile; butan-1-ol;

upstream raw materials:

3-(trifluoromethoxy)benzohydrazide

5,8-dichloro-4-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]oxazine

3,4-dichloro-5-<(2-hydroxyethyl)methylamino>-pyridazine

8-chloro-3,4-dihydro-4-methyl-2H-pyridazino<4,5-b>-1,4-oxazine

Downstream raw materials:

(4-fluoro-benzyl)-[6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalen-5-yl]-amine

(3,4-dimethoxy-benzyl)-[6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalen-5-yl]-amine

cyclopropylmethyl-[6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalen-5-yl]-amine

(1-methyl-piperidin-4-yl)-[6-methyl-3-(3-trifluoromethoxy-phenyl)-7,8-dihydro-6H-9-oxa-1,2,3a,4,-pentaaza-cyclopenta[a]naphthalen-5-yl]-amine