Benzaldehyde, 2-methoxy-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2H)-yl)phenyl)hydrazone

Base Information

Chemical Name:Benzaldehyde, 2-methoxy-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2H)-yl)phenyl)hydrazone
CAS No.:113458-66-5
Molecular Formula:C21H21 N7 O4
Molecular Weight:435.4359
Hs Code.:

Synonyms:BRN 5672165;Benzaldehyde, 2-methoxy-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2H)-yl)phenyl)hydrazone;113458-66-5;C21H21N7O4;C21-H21-N7-O4;LS-25092

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzaldehyde, 2-methoxy-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2H)-yl)phenyl)hydrazone

Chemical Property:

Density:1.439g/cm³
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:435.16550218
Heavy Atom Count:32
Complexity:823

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CC=C(C=C3)NN=CC4=CC=CC=C4OC
Isomeric SMILES:CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CC=C(C=C3)N/N=C/C4=CC=CC=C4OC

Technology Process of Benzaldehyde, 2-methoxy-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2H)-yl)phenyl)hydrazone

There total 4 articles about Benzaldehyde, 2-methoxy-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2H)-yl)phenyl)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: 95.0%

: 113458-64-3
2,3,4,4a,5,6,7,8-Octahydro-4a-(p-hydrazinophenyl)-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-3,5,7-trione

: 135-02-4
ortho-anisaldehyde

: 113458-66-5
2,3,4,4a,5,6,7,8-Octahydro-4a-<(o-methoxyphenylmethylidene)-p-hydrazinophenyl>-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-3,5,7-trione

Guidance literature:: With hydrogenchloride; In ethanol; for 0.0833333h; Heating;
DOI:10.1007/BF00758763

Reference yield:

: 18969-83-0
2,3,5,6,7,8-hexahydro-6,8-dimethylpyrimido<5,4-e>(1,2,4)-triazine-3,5,7-trione

: 113458-66-5
2,3,4,4a,5,6,7,8-Octahydro-4a-<(o-methoxyphenylmethylidene)-p-hydrazinophenyl>-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-3,5,7-trione

Guidance literature:: Multi-step reaction with 2 steps

1: 49 percent / conc. HCl / ethanol / 2 h / Heating

2: 95 percent / conc. HCl / ethanol / 0.08 h / Heating

With hydrogenchloride; In ethanol;
DOI:10.1007/BF00758763

Reference yield:

: 113458-69-8
2,3,4,4a,5,6,7,8-Octahydro-4a-ethoxy-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-3,5,7-trione

: 113458-66-5
2,3,4,4a,5,6,7,8-Octahydro-4a-<(o-methoxyphenylmethylidene)-p-hydrazinophenyl>-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-3,5,7-trione

Guidance literature:: Multi-step reaction with 3 steps

1: P₂O₅ / 4 h / 150 - 155 °C

2: 49 percent / conc. HCl / ethanol / 2 h / Heating

3: 95 percent / conc. HCl / ethanol / 0.08 h / Heating

With hydrogenchloride; phosphorus pentoxide; In ethanol;
DOI:10.1007/BF00758763