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41740-15-2

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41740-15-2 Usage

Chemical Properties

White Solid

Uses

1,3-Diethyl-6-aminouracil (cas# 41740-15-2) is a compound useful in organic synthesis.

Check Digit Verification of cas no

The CAS Registry Mumber 41740-15-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,1,7,4 and 0 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 41740-15:
(7*4)+(6*1)+(5*7)+(4*4)+(3*0)+(2*1)+(1*5)=92
92 % 10 = 2
So 41740-15-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H13N3O2/c1-3-10-6(9)5-7(12)11(4-2)8(10)13/h5H,3-4,9H2,1-2H3

41740-15-2SDS

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 6-Amino-1,3-diethylpyrimidine-2,4(1H,3H)-dione

1.2 Other means of identification

Product number -
Other names 6-amino-1,3-diethylpyrimidine-2,4-dione

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:41740-15-2 SDS

41740-15-2Synthetic route

N,N'-diethylurea
623-76-7

N,N'-diethylurea

cyanoacetic acid
372-09-8

cyanoacetic acid

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

Conditions
ConditionsYield
Stage #1: N,N'-diethylurea; cyanoacetic acid In acetic anhydride at 75 - 85℃; for 2h; Inert atmosphere; Large scale;
Stage #2: With sodium hydroxide at 5 - 10℃; for 1h; Large scale;
93.3%
With acetic anhydride at 80℃; for 2h;88%
Stage #1: N,N'-diethylurea; cyanoacetic acid With acetic anhydride at 60℃; for 0.166667h; microwave irradiation;
Stage #2: With sodium hydroxide In ethanol at 20℃;
70%
N,N-diethylurea
634-95-7

N,N-diethylurea

cyanoacetic acid
372-09-8

cyanoacetic acid

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

Conditions
ConditionsYield
In acetic acid at 80℃; for 2h;83%
cyanoacetic acid
372-09-8

cyanoacetic acid

N.N'-diethylurea

N.N'-diethylurea

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

Conditions
ConditionsYield
With pyridine; trichlorophosphate
cyanoacetic acid
372-09-8

cyanoacetic acid

N.N'-diethyl-urea

N.N'-diethyl-urea

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

Conditions
ConditionsYield
With acetic anhydride at 60℃; Behandeln des entstandenen N.N'-Diaethyl-N-cyanacetyl-harnstoffs mit Natronlauge;
N,N'-diethylurea
623-76-7

N,N'-diethylurea

cyanoacetic acid
372-09-8

cyanoacetic acid

A

(E)-N-ethyl-2-cyano-3-ethylamino-2-butenamide

(E)-N-ethyl-2-cyano-3-ethylamino-2-butenamide

B

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

Conditions
ConditionsYield
Stage #1: N,N'-diethylurea; cyanoacetic acid With acetic anhydride at 90 - 95℃; for 1h;
Stage #2: With sodium hydroxide at 90 - 95℃; for 0.25h;
1,3-dimethylbarbituric acid
769-42-6

1,3-dimethylbarbituric acid

1,1'-(1,4-phenylene)bis(2,2-dihydroxyethanone)
48160-61-8

1,1'-(1,4-phenylene)bis(2,2-dihydroxyethanone)

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

5,5'-(1,4-phenylenebis(1,3-diethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6,5-diyl))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione)

5,5'-(1,4-phenylenebis(1,3-diethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6,5-diyl))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione)

Conditions
ConditionsYield
With tetra-n-propylammonium bromide In ethanol for 1.66667h; Reflux;92%
1,1'-(1,4-phenylene)bis(2,2-dihydroxyethanone)
48160-61-8

1,1'-(1,4-phenylene)bis(2,2-dihydroxyethanone)

dimedone
126-81-8

dimedone

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

6,6'-(1,4-phenylene)bis(1,3-diethyl-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-1,7-dihydro-2H-pyrrolo[2,3-d]pyrimidine-2,4(3H)-dione)

6,6'-(1,4-phenylene)bis(1,3-diethyl-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-1,7-dihydro-2H-pyrrolo[2,3-d]pyrimidine-2,4(3H)-dione)

Conditions
ConditionsYield
With tetra-n-propylammonium bromide In ethanol for 1.83333h; Reflux;90%
5-(1,3-Dimethyl-2,4-dioxopyrimidil)methyl ketone
36980-95-7

5-(1,3-Dimethyl-2,4-dioxopyrimidil)methyl ketone

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

6-Acetyl-1,3-diethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
75993-46-3

6-Acetyl-1,3-diethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

Conditions
ConditionsYield
With sodium ethanolate In ethanol for 1h; Heating;89%
With base89%
With ethanol; sodium 1.) - 2.) 1 h reflux; Yield given. Multistep reaction;
5,8-dihydroxy-1,2,3,4-tetrahydro-1,4-ethanonaphthalene-6-carboxaldehyde
1600523-77-0

5,8-dihydroxy-1,2,3,4-tetrahydro-1,4-ethanonaphthalene-6-carboxaldehyde

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

2,4-diethyl-8,9,10,11-tetrahydro-8,11-ethanobenzo[g]pyrimido[4,5-c]isoquinoline-1,3,7,12(2H,4H)-tetraone
1600523-63-4

2,4-diethyl-8,9,10,11-tetrahydro-8,11-ethanobenzo[g]pyrimido[4,5-c]isoquinoline-1,3,7,12(2H,4H)-tetraone

Conditions
ConditionsYield
With magnesium sulfate; silver(l) oxide In dichloromethane at 20℃; for 2h;89%
6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

6-amino-1,3-diethyl-5-nitroso-1H,3H-pyrimidine-2,4-dione
89073-60-9

6-amino-1,3-diethyl-5-nitroso-1H,3H-pyrimidine-2,4-dione

Conditions
ConditionsYield
With sodium nitrite In acetic acid at 50 - 60℃; for 0.25h;86%
With acetic acid; sodium nitrite at 20 - 60℃;76%
With acetic acid; sodium nitrite In water at 50 - 60℃; for 0.25h;74%
5,8-dihydroxy-1,2,3,4-tetrahydro-1,4-methanonaphthalene-6-carboxaldehyde
1600523-76-9

5,8-dihydroxy-1,2,3,4-tetrahydro-1,4-methanonaphthalene-6-carboxaldehyde

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

2,4-diethyl-8,9,10,11-tetrahydro-8,11-methanobenzo[g]pyrimido[4,5-c]isoquinoline-1,3,7,12(2H,4H)-tetraone
1600523-53-2

2,4-diethyl-8,9,10,11-tetrahydro-8,11-methanobenzo[g]pyrimido[4,5-c]isoquinoline-1,3,7,12(2H,4H)-tetraone

Conditions
ConditionsYield
With magnesium sulfate; silver(l) oxide In dichloromethane at 20℃; for 2h;86%
benzyl alcohol
100-51-6

benzyl alcohol

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

6-benzylamino-1,3-diethyluracil

6-benzylamino-1,3-diethyluracil

Conditions
ConditionsYield
With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium); potassium hydroxide In tert-Amyl alcohol at 120℃; for 2h; Inert atmosphere; Green chemistry;84%
2-chlorotropone
3839-48-3

2-chlorotropone

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

7,9-diethylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(7H),10(9H)-dione

7,9-diethylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(7H),10(9H)-dione

Conditions
ConditionsYield
With potassium carbonate; triethylamine In 1,4-dioxane for 12h; alkylation, condensation, aromatization; Heating;82%
6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

5,6-diamino-1,3-diethyluracil
52998-22-8

5,6-diamino-1,3-diethyluracil

Conditions
ConditionsYield
Stage #1: 6-amino-1,3-diethyluracil With nitric acid; acetic acid In water
Stage #2: With sodium dithionite; ammonia In water Further stages.;
80%
Stage #1: 6-amino-1,3-diethyluracil With nitric acid; acetic acid In water Inert atmosphere;
Stage #2: With sodium dithionite; ammonia In water Inert atmosphere;
80%
Multi-step reaction with 2 steps
1.1: aq. AcOH / 0.5 h / 75 °C
1.2: NaNO2 / 1 h / 20 °C
2.1: aq. NH3 / 0.5 h / 70 °C
2.2: Na2S2O4 / 0.5 h / 20 °C
View Scheme
ammonium thiocyanate
1147550-11-5

ammonium thiocyanate

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

6-amino-1,3-diethyl-5-thiocyanatopyrimidine-2,4(1H,3H)-dione

6-amino-1,3-diethyl-5-thiocyanatopyrimidine-2,4(1H,3H)-dione

Conditions
ConditionsYield
With dihydrogen peroxide In water at 20℃;79%
Tropone
539-80-0

Tropone

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

7,9-diethylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(7H),10(9H)-dione

7,9-diethylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(7H),10(9H)-dione

Conditions
ConditionsYield
palladium on activated charcoal In 1,4-dioxane for 17h; alkylation, condensation, aromatization; Heating;76%
ammonium thiocyanate
1147550-11-5

ammonium thiocyanate

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

2-amino-4,6-diethylthiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione

2-amino-4,6-diethylthiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione

Conditions
ConditionsYield
Stage #1: ammonium thiocyanate; 6-amino-1,3-diethyluracil With dihydrogen peroxide In water at 20℃; for 0.333333h;
Stage #2: With sodium hydroxide In water at 20℃; for 1h;
76%
2-hydroxynaphthalene-1-carbaldehyde
708-06-5

2-hydroxynaphthalene-1-carbaldehyde

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

12-(6-amino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-8,10-diethyl-8,12-dihydro-9H-benzo[5,6]chromeno[2,3-d]pyrimidine-9,11(10H)-dione

12-(6-amino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-8,10-diethyl-8,12-dihydro-9H-benzo[5,6]chromeno[2,3-d]pyrimidine-9,11(10H)-dione

Conditions
ConditionsYield
In ethanol at 60℃; for 10h;68%
6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

1,3-dimethyl-5-cyanouracil
36980-91-3

1,3-dimethyl-5-cyanouracil

A

N,N'-Dimethylurea
96-31-1

N,N'-Dimethylurea

B

1,3-Diethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydro-pyrido[2,3-d]pyrimidine-6-carbonitrile
74115-53-0

1,3-Diethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydro-pyrido[2,3-d]pyrimidine-6-carbonitrile

Conditions
ConditionsYield
With sodium ethanolate In ethanol for 1h; Heating;A n/a
B 65%
6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

1,3-dimethyl-5-cyanouracil
36980-91-3

1,3-dimethyl-5-cyanouracil

1,3-Diethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydro-pyrido[2,3-d]pyrimidine-6-carbonitrile
74115-53-0

1,3-Diethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydro-pyrido[2,3-d]pyrimidine-6-carbonitrile

Conditions
ConditionsYield
With sodium ethanolate In ethanol for 1h; Heating;65%
With base65%
With ethanol; sodium 1.) - 2.) 1 h reflux; Yield given. Multistep reaction;
11-chloro-3,8-methano[11]annulenone
37765-19-8

11-chloro-3,8-methano[11]annulenone

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

11,13-diethyl-1,6-methanocycloundeca[b]pyrimido[5,4-d]pyrrole-12(11H),14(13H)-dione

11,13-diethyl-1,6-methanocycloundeca[b]pyrimido[5,4-d]pyrrole-12(11H),14(13H)-dione

Conditions
ConditionsYield
With acetic acid at 60℃; for 36h;60%
1,3-dimethyl-5-nitrouracil
41613-26-7

1,3-dimethyl-5-nitrouracil

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

6-nitropyridopyrimidine
74115-55-2

6-nitropyridopyrimidine

Conditions
ConditionsYield
With potassium hydroxide50%
4-morpholinecarboxaldehyde
4394-85-8

4-morpholinecarboxaldehyde

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

4-[N-(5-chloro-1,3-diethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-formimidoyl]-morpholine
60664-05-3

4-[N-(5-chloro-1,3-diethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-formimidoyl]-morpholine

Conditions
ConditionsYield
With thionyl chloride
N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

6-Amino-1,3-diethyl-5-[(E)-methyliminomethyl]-1H-pyrimidine-2,4-dione
107710-69-0

6-Amino-1,3-diethyl-5-[(E)-methyliminomethyl]-1H-pyrimidine-2,4-dione

Conditions
ConditionsYield
With trichlorophosphate In chloroform; N,N-dimethyl-formamide for 1.66667h;
4-methyleneoxetan-2-one
674-82-8

4-methyleneoxetan-2-one

benzaldehyde
100-52-7

benzaldehyde

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

1,3-Diethyl-7-methyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid

1,3-Diethyl-7-methyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid

Conditions
ConditionsYield
Yield given. Multistep reaction;
acetic acid
64-19-7

acetic acid

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

sodium nitrite

sodium nitrite

1.3-diethyl-2.6-dioxo-4-imino-5-hydroxyimino-hexahydropyrimidine

1.3-diethyl-2.6-dioxo-4-imino-5-hydroxyimino-hexahydropyrimidine

6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

1,3-diethyl-8-[1-benzylpyrazol-4-yl]-1,3,7-trihydropurine-2,6-dione

1,3-diethyl-8-[1-benzylpyrazol-4-yl]-1,3,7-trihydropurine-2,6-dione

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: aq. AcOH / 0.5 h / 75 °C
1.2: NaNO2 / 1 h / 20 °C
2.1: aq. NH3 / 0.5 h / 70 °C
2.2: Na2S2O4 / 0.5 h / 20 °C
3.1: EDCI*HCl / methanol / 20 °C
4.1: aq. NaOH / methanol / 16 h / 95 °C
View Scheme
6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

1-benzyl-1H-pyrazole-4-carboxylic acid (6-amino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-amide

1-benzyl-1H-pyrazole-4-carboxylic acid (6-amino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-amide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: aq. AcOH / 0.5 h / 75 °C
1.2: NaNO2 / 1 h / 20 °C
2.1: aq. NH3 / 0.5 h / 70 °C
2.2: Na2S2O4 / 0.5 h / 20 °C
3.1: EDCI*HCl / methanol / 20 °C
View Scheme
6-amino-1,3-diethyluracil
41740-15-2

6-amino-1,3-diethyluracil

1,3-diethyl-8-{1-[(3-fluorophenyl)methyl]pyrazol-4-yl}-1,3,7-trihydropurine-2,6-dione

1,3-diethyl-8-{1-[(3-fluorophenyl)methyl]pyrazol-4-yl}-1,3,7-trihydropurine-2,6-dione

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: aq. AcOH / 0.5 h / 75 °C
1.2: NaNO2 / 1 h / 20 °C
2.1: aq. NH3 / 0.5 h / 70 °C
2.2: Na2S2O4 / 0.5 h / 20 °C
3.1: EDCI*HCl / methanol / 20 °C
4.1: aq. NaOH / methanol / 16 h / 95 °C
View Scheme

41740-15-2Relevant articles and documents

Design and evaluation of xanthine based adenosine receptor antagonists: Potential hypoxia targeted immunotherapies

Thomas, Rhiannon,Lee, Joslynn,Chevalier, Vincent,Sadler, Sara,Selesniemi, Kaisa,Hatfield, Stephen,Sitkovsky, Michail,Ondrechen, Mary Jo,Jones, Graham B.

, p. 7453 - 7464 (2013)

Molecular modeling techniques were applied to the design, synthesis and optimization of a new series of xanthine based adenosine A2A receptor antagonists. The optimized lead compound was converted to a PEG derivative and a functional in vitro bioassay used to confirm efficacy. Additionally, the PEGylated version showed enhanced aqueous solubility and was inert to photoisomerization, a known limitation of existing antagonists of this class.

Novel, Dual Target-Directed Annelated Xanthine Derivatives Acting on Adenosine Receptors and Monoamine Oxidase B

Brockmann, Andreas,Doroz-P?onka, Agata,Ja?ko, Piotr,Kie?-Kononowicz, Katarzyna,Kuder, Kamil J.,Latacz, Gniewomir,Müller, Christa E.,Olejarz-Maciej, Agnieszka,Schabikowski, Jakub,Za?uski, Micha?

, (2020/04/20)

Annelated purinedione derivatives have been shown to act as possible multiple-target ligands, addressing adenosine receptors and monoaminooxidases. In this study, based on our previous results, novel annelated pyrimido- and diazepino[2,1-f]purinedione derivatives were designed as dual-target-directed ligands combining A2A adenosine receptor (AR) antagonistic activity with blocking monoamine oxidase B. A library of 19 novel compounds was synthesized and biologically evaluated in radioligand binding studies at AR subtypes and for their ability to inhibit MAO-B. This allowed 9-(2-chloro-6-fluorobenzyl)-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (13 e; Ki human A2AAR: 264 nM and IC50 human MAO-B: 243 nM) to be identified as the most potent dual-acting ligand from this series. ADMET parameters were estimated in vitro, and analysis of the structure-activity relationships was complemented by molecular-docking studies based on previously published X-ray structures of the protein targets. Such dual-acting ligands, by selectively blocking A2A AR, accompanied by the inhibition of dopamine metabolizing enzyme MAO-B, might provide symptomatic and neuroprotective effects in, among others, the treatment of Parkinson disease.

Inhibitory Effects of New Mercapto Xanthine Derivatives in Human mcf7 and k562 Cancer Cell Lines

Sultani, Haider N.,Ghazal, Rasha A.,Hayallah, Alaa M.,Abdulrahman, Loay K.,Abu-Hammour, Khaled,AbuHammad, Shatha,Taha, Mutasem O.,Zihlif, Malek A.

supporting information, p. 450 - 456 (2017/02/03)

A series of new 2-methyl-2-[(1,3-Diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio]-N- substituted arylacetamides were synthesized. The antitumor activity of these purine based compounds were evaluated on breast cancer (MCF7) and leukemic cancer (K562) cell lines via cell viability assay utilizing the tetrazolium dye 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT). These results were substantiated using computer docking experiments (LigandFit docking engine and PMF scoring function) which predict that the antitumor activity of these new compounds may be attributable to their abilities to effectively bind and block oncogenic tyrosine kinases, particularly bcr/abl.

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