1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-(phenylmethyl)-6-((4,6-dioxo-tetrahydro-2-thioxo-5(2H)-pyrimidinylidene)methyl)-

Base Information

Chemical Name:1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-(phenylmethyl)-6-((4,6-dioxo-tetrahydro-2-thioxo-5(2H)-pyrimidinylidene)methyl)-
CAS No.:91456-79-0
Molecular Formula:C₂₁H₁₇N₇O₄S
Molecular Weight:463.476
Hs Code.:

Synonyms:BRN 5678017;1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-(phenylmethyl)-6-((4,6-dioxo-tetrahydro-2-thioxo-5(2H)-pyrimidinylidene)methyl)-;1-Benzyl-2,8-dimethylimidazo(1,2-f)xanthylidene-3-thiobarbituric acid;91456-79-0

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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 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-(phenylmethyl)-6-((4,6-dioxo-tetrahydro-2-thioxo-5(2H)-pyrimidinylidene)methyl)-

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:463.10627322
Heavy Atom Count:33
Complexity:927

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(N2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)NC3=O)C)C=C5C(=O)NC(=S)NC5=O

Technology Process of 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-(phenylmethyl)-6-((4,6-dioxo-tetrahydro-2-thioxo-5(2H)-pyrimidinylidene)methyl)-

There total 4 articles about 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-(phenylmethyl)-6-((4,6-dioxo-tetrahydro-2-thioxo-5(2H)-pyrimidinylidene)methyl)- 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: 81.0%

: 504-17-6,157796-99-1,924832-30-4
4,6-dihydroxy-2-mercaptopyrimidine

: 91865-78-0
2,8-Dimethyl-1-benzyl-3-formylimidazo<1,2-f>xanthine

: 91456-79-0
1-Benzyl-2,8-dimethylimidazo<1,2-f>xanthylidene-3-thiobarbituric acid

Guidance literature:: With sodium acetate; In acetic acid; for 5h; Heating;
DOI:10.1007/BF00758999

Reference yield:

: 81146-99-8
3-Methyl-7-acetonyl-8-chloroxanthine

: 91456-79-0
1-Benzyl-2,8-dimethylimidazo<1,2-f>xanthylidene-3-thiobarbituric acid

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / dimethylformamide / 0.25 h / Heating

2: 88 percent / POCl₃ / 4 h / 100 °C / Heating

3: 81 percent / CH₃COONa / acetic acid / 5 h / Heating

With sodium acetate; trichlorophosphate; In acetic acid; N,N-dimethyl-formamide;
DOI:10.1007/BF00758999

Reference yield:

: 91456-80-3
1-Benzyl-2,8-dimethyl-6H-imidazo<1,2-f>xanthine

: 91456-79-0
1-Benzyl-2,8-dimethylimidazo<1,2-f>xanthylidene-3-thiobarbituric acid

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / POCl₃ / 4 h / 100 °C / Heating

2: 81 percent / CH₃COONa / acetic acid / 5 h / Heating

With sodium acetate; trichlorophosphate; In acetic acid;
DOI:10.1007/BF00758999