4,5,6,7-tetrahydro-3-hydroxy-7-[(phenylmethoxy)carbonyl][1,2,3]oxadiazolo[3,4-b]pyridazin-8-ium inner salt

Base Information

• Chemical Name: 4,5,6,7-tetrahydro-3-hydroxy-7-[(phenylmethoxy)carbonyl][1,2,3]oxadiazolo[3,4-b]pyridazin-8-ium inner salt
• CAS No.: 1161076-92-1
• Molecular Formula: C₁₃H₁₃N₃O₄
• Molecular Weight: 275.264
• Mol file: 1161076-92-1.mol

Synonyms:4,5,6,7-tetrahydro-3-hydroxy-7-[(phenylmethoxy)carbonyl][1,2,3]oxadiazolo[3,4-b]pyridazin-8-ium inner salt

Chemical Property of 4,5,6,7-tetrahydro-3-hydroxy-7-[(phenylmethoxy)carbonyl][1,2,3]oxadiazolo[3,4-b]pyridazin-8-ium inner salt

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4,5,6,7-tetrahydro-3-hydroxy-7-[(phenylmethoxy)carbonyl][1,2,3]oxadiazolo[3,4-b]pyridazin-8-ium inner salt

There total 2 articles about 4,5,6,7-tetrahydro-3-hydroxy-7-[(phenylmethoxy)carbonyl][1,2,3]oxadiazolo[3,4-b]pyridazin-8-ium inner salt 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:

1-(phenylmethyl) hydrogen tetrahydro-2-nitrosopyridazine-1,(3S)(2H)-dicarboxylate (1161076-91-0) → 4,5,6,7-tetrahydro-3-hydroxy-7-[(phenylmethoxy)carbonyl][1,2,3]oxadiazolo[3,4-b]pyridazin-8-ium inner salt (1161076-92-1)

Guidance literature:

With trifluoroacetic anhydride; In diethyl ether; at 0 - 2 ℃; for 3.5h;

Reference yield:

(3S)-hexahydro-1,3-pridazinedicarboxylic acid 1-(phenylmethyl) ester (65632-62-4) → 4,5,6,7-tetrahydro-3-hydroxy-7-[(phenylmethoxy)carbonyl][1,2,3]oxadiazolo[3,4-b]pyridazin-8-ium inner salt (1161076-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; sodium nitrite / water / 3.5 h / 4 °C

2: trifluoroacetic anhydride / diethyl ether / 3.5 h / 0 - 2 °C

With hydrogenchloride; trifluoroacetic anhydride; sodium nitrite; In diethyl ether; water;

Reference yield:

4,5,6,7-tetrahydro-3-hydroxy-7-[(phenylmethoxy)carbonyl][1,2,3]oxadiazolo[3,4-b]pyridazin-8-ium inner salt (1161076-92-1) + 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-3-[2-(methylthio)-4-pyrimidinyl]pyrazolo[1,5-a]pyridine (1161076-87-4) → phenylmethyl 3-(2-chloro-4-pyrimidinyl)-2-(4-fluorophenyl)-5,6-dihydropyrazolo[1,5-b]pyridazine-7(4H)-carboxylate (1161076-46-5)

Guidance literature:

In 1,3,5-trimethyl-benzene; at 140 ℃; for 4h;

upstream raw materials:

(3S)-hexahydro-1,3-pridazinedicarboxylic acid 1-(phenylmethyl) ester

1-(phenylmethyl) hydrogen tetrahydro-2-nitrosopyridazine-1,(3S)(2H)-dicarboxylate

Downstream raw materials:

phenylmethyl 3-(2-chloro-4-pyrimidinyl)-2-(4-fluorophenyl)-5,6-dihydropyrazolo[1,5-b]pyridazine-7(4H)-carboxylate

phenylmethyl 3-[2-(cyclopropylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-5,6-dihydropyrazolo[1,5-b]pyridazine-7(4H)-carboxylate

phenylmethyl 2-(4-fluorophenyl)-5,6-dihydro-3-[2-[(2-hydroxy-1-methylethyl)amino]-4-pyrimidinyl]pyrazolo[1,5-b]pyridazine-7(4H)-carboxylate