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3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile is a complex organic compound with the molecular formula C12H12N4O2. It is a derivative of purine, a heterocyclic aromatic organic compound consisting of a pyrimidine ring fused to an imidazole ring. This specific compound features a propenenitrile group (a nitrile group attached to a propene chain) and two methyl groups attached to the purine ring, which contribute to its unique chemical properties. It is known for its potential applications in pharmaceuticals and as a building block in the synthesis of various biologically active molecules. The compound's structure and properties make it a subject of interest in medicinal chemistry, particularly in the development of drugs targeting purine-related metabolic pathways.

1811-38-7

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1811-38-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1811-38-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,8,1 and 1 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1811-38:
(6*1)+(5*8)+(4*1)+(3*1)+(2*3)+(1*8)=67
67 % 10 = 7
So 1811-38-7 is a valid CAS Registry Number.

1811-38-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanenitrile

1.2 Other means of identification

Product number -
Other names 7H-Purine-7-propanenitrile,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1811-38-7 SDS

1811-38-7Relevant academic research and scientific papers

Synthesis, antifungal evaluation and molecular docking studies of some tetrazole derivatives

Afsarian, Mohammad Hosein,Farjam, Mojtaba,Zarenezhad, Elham,Behrouz, Somayeh,Rad, Mohammad Navid Soltani

, p. 874 - 887 (2020/01/21)

A facile and simple protocol for the [3+2] cycloaddition of alkyl nitriles (RCN) with sodium azide (NaN3) in the presence of copper bis(diacetylcurcumin) 1,2-diamin-obenzene Schiff base complex, SiO2-[Cu-BDACDABSBC] as a heterogeneous catalyst in the presence of ascorbic acid and a solution of water/i-PrOH (50:50, V/V) media at reflux condition is described. The supported catalyst was prepared by immobilization of a copper bis(diacetylcurcumin) 1,2-diaminobenzene Schiff base complex [Cu-BDACDABSBC] on silica gel. The complex has high selectivity, catalytic activity, and recyclability. The significant features of this procedure are high yields, broad substrate scope and simple and efficient work-up procedure. According to this synthetic methodology, excellent yields of 5-substituted 1H-tetrazoles having bioactive N-heterocyclic cores were synthesized. The in vitro antifungal activities of title compounds were screened against various pathogenic fungal strains, such as Candida species involving C. albicans, C. glabrata, C. krusei, C. parapsilosis as well as filamentous fungi like Aspergillus species consisting of A. fumigatus and A. flavus. The molecular docking analysis is discussed for one most potent compound against fungi. The docking study determined a remarkable interaction between the most potent compounds and the active site of Mycobacterium P450DM.

An efficient protocol for facile synthesis of new 5-substituted-1H-tetrazole derivatives using copper-doped silica cuprous sulfate (CDSCS) as heterogeneous nano-catalyst

Soltani Rad, Mohammad Navid

, p. 11 - 20 (2016/12/18)

A facile and highly efficient protocol for synthesis of new 5-substituted-1H-tetrazoles derivatives using copper-doped silica cuprous sulfate (CDSCS) is described. In this method, the cycloaddition reaction of sodium azide with structurally diverse nitriles involving bioactive N-heterocyclic cores exploiting CDSCS in refluxing H2O/i-PrOH (1:1, v/v) furnishes the corresponding 5-substituted-1H-tetrazoles in good to excellent yields (up to 93percent). The influence of parameters effective in progress of reaction including solvent type, temperature and catalyst was studied and discussed. In this protocol, CDSCS was proved to be an efficient heterogeneous nano-catalyst to easily achieve the new tetrazole derivatives. The advantages of CDSCS in current protocol known are its cheapness, thermal and chemical stability, ease of recyclability and reusability for several consecutive runs without significant decline in its reactivity.

Cu/Graphene/Clay Nanohybrid: A Highly Efficient Heterogeneous Nanocatalyst for Synthesis of New 5-Substituted-1H-Tetrazole Derivatives Tethered to Bioactive N-Heterocyclic Cores

Soltani Rad, Mohammad Navid,Behrouz, Somayeh,Sadeghi Dehchenari, Vahid,Hoseini, S. Jafar

, p. 355 - 365 (2017/02/03)

A series of new 5-substituted 1H-tetrazoles bearing bioactive N-heterocyclic cores were synthesized through [3 + 2] cycloaddition reactions between alkyl nitriles (RCN) and NaN3in the presence of Cu/aminoclay/reduced graphene oxide nanohybrid (Cu/AC/r-GO nanohybrid) as a heterogeneous nanocatalyst in water/i-PrOH (50:50, V/V) media at reflux condition. The influence of factors on a sample reaction including solvent type, temperature, and catalyst amount was discussed. This current protocol has many advantages including inexpensiveness, environmentally benign, broad substrate scope, excellent yields, and easy work-up procedure. The Cu/AC/r-GO used in this protocol is a low-cost catalyst that proved to have considerable chemical and thermal stabilities. This non-hygroscopic catalyst can be easily recycled, reused, and stored for many consecutive reaction runs without significant loss in its reactivity.

Highly efficient protocol for one-pot N-alkylation of nucleobases using alcohols in bmim[Br]: A rapid route to access acyclic nucleosides

Rad, Mohammad Navid Soltani,Behrouz, Somayeh,Zarenezhad, Elham,Kaviani, Narjes

, p. 1603 - 1612 (2015/07/07)

Highly efficient protocol for one-pot N-alkylation of nucleobases using alcohol in ionic liquid media as a straightforward route to access acyclic nucleoside was described. In this protocol purine, pyrimidine as well as azole derivatives underwent the N-a

N 7-Tosyltheophylline (TsTh): A highly efficient reagent for the one-pot synthesis of n 7-alkyltheophyllines from alcohols

Soltani Rad, Mohammad Navid,Behrouz, Somayeh,Najafi, Hosnieh

, p. 1380 - 1388 (2014/06/09)

A convenient and highly efficient one-pot N-alkylation of theophylline from alcohols via N 7-tosyltheophylline (TsTh) is described. In this protocol, the treatment of primary and/or secondary alcohols with a mixture of TsTh and 1,8-diazabicyclo[5.4.0]undec-7-ene in refluxing acetonitrile affords the corresponding N 7-alkyltheophylline in good to excellent yields; the reaction was optimized for solvent and base. This methodology is highly efficient for various structurally diverse primary and secondary alcohols. A plausible mechanism for the one-pot N-alkylation of theophylline with alcohols via TsTh has been suggested. Georg Thieme Verlag Stuttgart New York.

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