Benzaldehyde, 4-chloro-, 2-(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone

Base Information

• Chemical Name: Benzaldehyde, 4-chloro-, 2-(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone
• CAS No.: 137438-26-7
• Molecular Formula: C₁₈H₁₇ClN₄S
• Molecular Weight: 356.879
• DSSTox Substance ID: DTXSID901113489

Synonyms:DTXSID901113489;NCI60_018673;137438-26-7;Benzaldehyde, 4-chloro-, 2-(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone

Chemical Property of Benzaldehyde, 4-chloro-, 2-(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 356.0862454
• Heavy Atom Count: 24
• Complexity: 454

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2=C(C1)SC3=NC=NC(=C23)NN=CC4=CC=C(C=C4)Cl

Technology Process of Benzaldehyde, 4-chloro-, 2-(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone

There total 4 articles about Benzaldehyde, 4-chloro-, 2-(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone 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: 87.0%

4-chlorobenzaldehyde (104-88-1) + 4-hydrazino-7-methyl-5,6,7,8-tetrahydrobenzothieno<2,3-d>pyrimidine (137438-24-5) → N-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-N'-(7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazine (137438-26-7)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 7h; Heating;

Reference yield:

2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (95211-68-0) → N-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-N'-(7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazine (137438-26-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 80 percent / toluene

2: 75 percent / POCl₃ / 6 h / Heating

3: 80 percent / H₂N-NH₂*H₂O / methanol / 4 h / Heating

4: 87 percent / p-TsOH / toluene / 7 h / Heating

With toluene-4-sulfonic acid; hydrazine hydrate; trichlorophosphate; In methanol; toluene;

Reference yield:

4-chloro-7-methyl-5,6,7,8-tetrahydrobenzothieno<2,3-b>pyrimidine (137438-23-4) → N-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-N'-(7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazine (137438-26-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / H₂N-NH₂*H₂O / methanol / 4 h / Heating

2: 87 percent / p-TsOH / toluene / 7 h / Heating

With toluene-4-sulfonic acid; hydrazine hydrate; In methanol; toluene;

upstream raw materials:

4-chlorobenzaldehyde

4-hydrazino-7-methyl-5,6,7,8-tetrahydrobenzothieno<2,3-d>pyrimidine

2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide

4-chloro-7-methyl-5,6,7,8-tetrahydrobenzothieno<2,3-b>pyrimidine

Downstream raw materials:

3-(4-Chloro-phenyl)-8-methyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene

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