Acetic acid, ((2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)-, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide

Base Information

Chemical Name:Acetic acid, ((2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)-, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide
CAS No.:130366-26-6
Molecular Formula:C₂₀H₂₃Cl₂N₇O₃S
Molecular Weight:512.42
Hs Code.:

Synonyms:BRN 4773136;1,3-Dimethylxanthin-8-ylthioaceto-N'-(p-N,N-di(2-chloroethyl)aminobenzylidene)hydrazide;Acetic acid, ((2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)-, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide;130366-26-6;C20H23Cl2N7O3S;C20-H23-Cl2-N7-O3-S

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Supply Marketing:

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

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Chemical Property of Acetic acid, ((2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)-, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:511.0960142
Heavy Atom Count:33
Complexity:732

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NN=CC3=CC=C(C=C3)N(CCCl)CCCl
Isomeric SMILES:CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl

Technology Process of Acetic acid, ((2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)-, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide

There total 2 articles about Acetic acid, ((2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)-, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide 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: 85.0%

: 1208-03-3
4-(bis(2-chloroethyl)amino)benzaldehyde

: 130366-24-4
1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl thioacetohydrazide

: 130366-26-6
1,3-dimethylxanthin-8-ylthioaceto-N'-hydrazide

Guidance literature:: With hydrogenchloride; Heating;
DOI:10.1007/BF00764999

Reference yield:

: 82331-14-4
methyl [(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio]acetate

: 130366-26-6
1,3-dimethylxanthin-8-ylthioaceto-N'-hydrazide

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / hydrazine hydrate / methanol / 0.15 h

2: 85 percent / aq. HCl / Heating

With hydrogenchloride; hydrazine hydrate; In methanol;
DOI:10.1007/BF00764999