Diethyl 4-acetyl-8-cyano-5-methyl-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate

Base Information

Chemical Name:Diethyl 4-acetyl-8-cyano-5-methyl-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate
CAS No.:77937-06-5
Molecular Formula:C₁₇H₁₈N₄O₅
Molecular Weight:358.354
Hs Code.:
NSC Number:348737
DSSTox Substance ID:DTXSID70331015

Synonyms:NSC348737;77937-06-5;NSC 348737;DTXSID70331015;NSC-348737

Suppliers and Price of Diethyl 4-acetyl-8-cyano-5-methyl-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate

Supply Marketing:

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

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Chemical Property of Diethyl 4-acetyl-8-cyano-5-methyl-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate

Chemical Property:

Vapor Pressure:2.51E-11mmHg at 25°C
XLogP3:-0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:358.12771969
Heavy Atom Count:26
Complexity:756

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1C2(C1(N3C(=C(C=N3)C#N)N=C2C)C(=O)OCC)C(=O)C

Technology Process of Diethyl 4-acetyl-8-cyano-5-methyl-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate

There total 6 articles about Diethyl 4-acetyl-8-cyano-5-methyl-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate 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: 89.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 77936-93-7
5a-acetyl-6a-diethoxycarbonyl-5a,6a-dihydro-6H-cyclopropapyrazolo<1,5-a>pyrimidine-3-carbonitrile

: 77937-06-5
5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclopropa<5a,6a>pyrazolo<1,5-a>pyrimidine-3-carbonitrile

Guidance literature:: In diethyl ether; for 2h; Ambient temperature;
DOI:10.1002/jhet.5570180130

Reference yield:

: 77947-26-3
ethyl 6-acetyl-7-carbethoxy-3-cyano-4,7-dihydropyrazolo<1,5-a>pyrimidine-7-diazoacetate

: 77937-06-5
5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclopropa<5a,6a>pyrazolo<1,5-a>pyrimidine-3-carbonitrile

Guidance literature:: With acetic acid; at 50 ℃; for 0.0833333h;
DOI:10.1002/jhet.5570180130

Reference yield:

: 77936-76-6
ethyl 6-acetyl-3-cyano-4,7-dihydropyrazolo<1,5-a>pyrimidine-7-carboxylate

: 77937-06-5
5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclopropa<5a,6a>pyrazolo<1,5-a>pyrimidine-3-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 81.4 percent / manganese dioxide / dimethylformamide / 10 h / Ambient temperature

2: 62 percent / copper powder / dioxane / 1) 40 deg C, 3 h 2) 70 deg C, 4 h

3: 89 percent / diethyl ether / 2 h / Ambient temperature

With manganese(IV) oxide; copper; In 1,4-dioxane; diethyl ether; N,N-dimethyl-formamide;
DOI:10.1002/jhet.5570180130