1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione

Base Information

Chemical Name:1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione
CAS No.:6466-44-0
Molecular Formula:C14H14 N4 O2 S
Molecular Weight:302.357
Hs Code.:
NSC Number:99686
DSSTox Substance ID:DTXSID70983275
Wikidata:Q82970196

Synonyms:6466-44-0;NSC99686;DTXSID70983275;NSC-99686;1,3-Dimethyl-8-[(phenylsulfanyl)methyl]-3,9-dihydro-1H-purine-2,6-dione

Suppliers and Price of 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione

Chemical Property:

Vapor Pressure:7.53E-13mmHg at 25°C
Boiling Point:566.4°Cat760mmHg
Flash Point:296.4°C
Density:1.46g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:302.08374688
Heavy Atom Count:21
Complexity:427

Purity/Quality:

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)CSC3=CC=CC=C3

Technology Process of 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione

There total 3 articles about 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione 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:

: C₁₄H₁₆N₄O₃S

: 6466-44-0
1,3-dimethyl-8-phenylsulfanylmethyl-3,7⁽⁹⁾-dihydro-purine-2,6-dione

Guidance literature:: C₁₄H₁₆N₄O₃S; With sodium hydroxide; In 1,4-dioxane; water; for 2h; Reflux;

With hydrogenchloride; In 1,4-dioxane; water; at 0 ℃; pH=4;
DOI:10.1016/j.bmc.2012.05.048

Reference yield:

: 5440-00-6
4,5-Diamino-1,3-dimethyluracil

: 6466-44-0
1,3-dimethyl-8-phenylsulfanylmethyl-3,7⁽⁹⁾-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 2 steps

1.1: hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / 1,4-dioxane; water / 2 h / 20 °C / pH 5 - 6

2.1: sodium hydroxide / 1,4-dioxane; water / 2 h / Reflux

2.2: 0 °C / pH 4

With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In 1,4-dioxane; water;
DOI:10.1016/j.bmc.2012.05.048

Reference yield:

: 103-04-8
(phenylthio)acetic acid

: 6466-44-0
1,3-dimethyl-8-phenylsulfanylmethyl-3,7⁽⁹⁾-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 2 steps

1.1: hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / 1,4-dioxane; water / 2 h / 20 °C / pH 5 - 6

2.1: sodium hydroxide / 1,4-dioxane; water / 2 h / Reflux

2.2: 0 °C / pH 4

With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In 1,4-dioxane; water;
DOI:10.1016/j.bmc.2012.05.048