N-[2-(dimethylamino)ethyl]-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide

Base Information

• Chemical Name: N-[2-(dimethylamino)ethyl]-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide
• CAS No.: 89073-58-5
• Molecular Formula: C₂₁H₃₀N₆O₄S
• Molecular Weight: 462.573
• ChEMBL ID: CHEMBL11002
• DSSTox Substance ID: DTXSID60878585
• Wikidata: Q82860629
• Mol file: 89073-58-5.mol

Synonyms:CHEMBL11002;SCHEMBL7038994;DTXSID60878585;RFOUTECLIYSGOW-UHFFFAOYSA-N;BDBM50020986;89073-58-5;N-[2-(dimethylamino)ethyl]-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide;XANTHINE13DIPROPYL84DIMETHYLAMINOETHYLAMINOSULFO;N-(2-Dimethylamino-ethyl)-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonamide

Chemical Property of N-[2-(dimethylamino)ethyl]-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 462.20492463
• Heavy Atom Count: 32
• Complexity: 763

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)NCCN(C)C

Technology Process of N-[2-(dimethylamino)ethyl]-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide

There total 3 articles about N-[2-(dimethylamino)ethyl]-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide 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:

DPSPX (89073-57-4) → N-<2-(dimethylamino)ethyl>-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide (89073-58-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / dimethylformamide / 0 - 20 °C

2: dimethylformamide / Ambient temperature

With thionyl chloride; In N,N-dimethyl-formamide;

DOI:10.1021/jm00146a016

Reference yield:

N,N-dimethylethylenediamine (108-00-9) + 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonyl chloride → N-<2-(dimethylamino)ethyl>-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide (89073-58-5)

Guidance literature:

In N,N-dimethyl-formamide; Yield given; Ambient temperature;

DOI:10.1021/jm00146a016

Reference yield:

→ N-<2-(dimethylamino)ethyl>-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide (89073-58-5)

Guidance literature:

upstream raw materials:

N,N-dimethylethylenediamine

DPSPX