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13040-58-9

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  • 4(1H)-Pteridinone,2-amino-7-methyl-(8CI,9CI) CAS:13040-58-9

    Cas No: 13040-58-9

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13040-58-9 Usage

Chemical Properties

Yellow Solid

Uses

Different sources of media describe the Uses of 13040-58-9 differently. You can refer to the following data:
1. A metabolite of Pterin.
2. Pterin metabolite.

Check Digit Verification of cas no

The CAS Registry Mumber 13040-58-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,0,4 and 0 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 13040-58:
(7*1)+(6*3)+(5*0)+(4*4)+(3*0)+(2*5)+(1*8)=59
59 % 10 = 9
So 13040-58-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H7N5O/c1-3-2-9-4-5(10-3)11-7(8)12-6(4)13/h2H,1H3,(H3,8,10,11,12,13)

13040-58-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-amino-7-methyl-1H-pteridin-4-one

1.2 Other means of identification

Product number -
Other names 4-Pteridinol,2-amino-7-methyl

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:13040-58-9 SDS

13040-58-9Synthetic route

2,4,5-triaminopyrimidin-6(1H)-one sulfate monohydrate
35011-47-3

2,4,5-triaminopyrimidin-6(1H)-one sulfate monohydrate

1-chloro-1-benzamidoacetone
88297-80-7

1-chloro-1-benzamidoacetone

7-methylpterin
13040-58-9

7-methylpterin

Conditions
ConditionsYield
With piperidine In water at 20℃; for 168h;88%
2,5,6-triamino-3,4-dihydro-4-pyrimidinone
1004-75-7

2,5,6-triamino-3,4-dihydro-4-pyrimidinone

N-chloroacetamidoacetone

N-chloroacetamidoacetone

7-methylpterin
13040-58-9

7-methylpterin

Conditions
ConditionsYield
With triethylamine In water at 20℃; for 12h;84%
With triethylamine at 20℃; for 12h;84%
2,4,5-triamino-6-hydroxypyrimidine sulfate
35011-47-3

2,4,5-triamino-6-hydroxypyrimidine sulfate

1-tosyl-4-methylimidazolin-2-one
54972-20-2

1-tosyl-4-methylimidazolin-2-one

A

7-methylpterin
13040-58-9

7-methylpterin

B

toluene-4-sulfonamide
70-55-3

toluene-4-sulfonamide

Conditions
ConditionsYield
With piperidine In water at 20℃; for 144h;A 82%
B n/a
2,5,6-triamino-3,4-dihydro-4-pyrimidinone
1004-75-7

2,5,6-triamino-3,4-dihydro-4-pyrimidinone

N-(4-methylbenzenesulphonyl)propanamin-2-one
54972-26-8

N-(4-methylbenzenesulphonyl)propanamin-2-one

7-methylpterin
13040-58-9

7-methylpterin

Conditions
ConditionsYield
With piperidine at 20℃; for 140h;80%
1-butylsulfanylpropan-2-one
79948-21-3

1-butylsulfanylpropan-2-one

2,4,5-triaminopyrimidin-6(1H)-one sulfate monohydrate
35011-47-3

2,4,5-triaminopyrimidin-6(1H)-one sulfate monohydrate

7-methylpterin
13040-58-9

7-methylpterin

Conditions
ConditionsYield
With piperidine In water at 20℃; for 165h;78%
2-butylthiopropanal
85296-31-7

2-butylthiopropanal

2,4,5-triaminopyrimidin-6(1H)-one sulfate monohydrate
35011-47-3

2,4,5-triaminopyrimidin-6(1H)-one sulfate monohydrate

7-methylpterin
13040-58-9

7-methylpterin

Conditions
ConditionsYield
With triethylamine In water; N,N-dimethyl-formamide at 20℃; for 165h;71%
2-amino-6-methylpteridin-4(1H)-one
708-75-8

2-amino-6-methylpteridin-4(1H)-one

7-methylpterin
13040-58-9

7-methylpterin

1,1-dibutoxy-2-propanone
19255-82-4

1,1-dibutoxy-2-propanone

2,4,5-triaminopyrimidin-6(1H)-one sulfate monohydrate
35011-47-3

2,4,5-triaminopyrimidin-6(1H)-one sulfate monohydrate

A

7-methylpterin
13040-58-9

7-methylpterin

B

2-amino-6-methylpteridin-4(1H)-one
708-75-8

2-amino-6-methylpteridin-4(1H)-one

Conditions
ConditionsYield
With sodium disulfite In water at 80℃; for 6h; Product distribution; further cyclizating agents;
2,4,5,6-tetraaminopyrimidine sulfate
5392-28-9

2,4,5,6-tetraaminopyrimidine sulfate

1-(4'-chlorobenzenesulfonyl)-4-methylimidazolin-2-one
79614-36-1

1-(4'-chlorobenzenesulfonyl)-4-methylimidazolin-2-one

A

7-methylpterin
13040-58-9

7-methylpterin

B

2-amino-6-methylpteridin-4(1H)-one
708-75-8

2-amino-6-methylpteridin-4(1H)-one

Conditions
ConditionsYield
With piperidine; potassium hydroxide 1.) water, 20 deg C, 7 d, 2.) heating; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
hydroxy-2-propanone
116-09-6

hydroxy-2-propanone

2,4,5-triamino-6-hydroxypyrimidine dihydrochloride

2,4,5-triamino-6-hydroxypyrimidine dihydrochloride

A

7-methylpterin
13040-58-9

7-methylpterin

B

2-amino-6-methylpteridin-4(1H)-one
708-75-8

2-amino-6-methylpteridin-4(1H)-one

Conditions
ConditionsYield
Yield given. Multistep reaction;
5-methyl-3-oxo-3,4-dihydro-pyrazine-2-carboxylic acid methyl ester

5-methyl-3-oxo-3,4-dihydro-pyrazine-2-carboxylic acid methyl ester

7-methylpterin
13040-58-9

7-methylpterin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: POCl3
2: 170 °C
View Scheme
7-methylpterin
13040-58-9

7-methylpterin

2-amino-6-methylpteridin-4(1H)-one
708-75-8

2-amino-6-methylpteridin-4(1H)-one

(2-amino-6-methyl-4-oxo-4,8-dihydro-3H-pteridin-7-yliden)-(2-amino-4-oxo-3,4-dihydro-pteridin-7-yl)-methane

(2-amino-6-methyl-4-oxo-4,8-dihydro-3H-pteridin-7-yliden)-(2-amino-4-oxo-3,4-dihydro-pteridin-7-yl)-methane

Conditions
ConditionsYield
With sulfuric acid unter Zutritt von Luft;
7-methylpterin
13040-58-9

7-methylpterin

acetic anhydride
108-24-7

acetic anhydride

2-acetamido-7-methylpteridin-4(3H)-one
31010-55-6

2-acetamido-7-methylpteridin-4(3H)-one

7-methylpterin
13040-58-9

7-methylpterin

7-methyl-1H-pteridine-2,4-dione
13401-38-2

7-methyl-1H-pteridine-2,4-dione

Conditions
ConditionsYield
With hydrogenchloride; acetic acid; sodium nitrite
7-methylpterin
13040-58-9

7-methylpterin

2-amino-7-dibromomethyl-3H-pteridin-4-one

2-amino-7-dibromomethyl-3H-pteridin-4-one

Conditions
ConditionsYield
With hydrogen bromide; bromine
7-methylpterin
13040-58-9

7-methylpterin

2-amino-1,4-dihydro-4-oxopteridine-7-carboxylic acid
31010-60-3

2-amino-1,4-dihydro-4-oxopteridine-7-carboxylic acid

Conditions
ConditionsYield
With sodium hydroxide; potassium permanganate
7-methylpterin
13040-58-9

7-methylpterin

2-amino-7-(bromomethyl)pteridin-4(3H)-one hydrobromide

2-amino-7-(bromomethyl)pteridin-4(3H)-one hydrobromide

Conditions
ConditionsYield
With hydrogen bromide; bromine
With bromine
7-methylpterin
13040-58-9

7-methylpterin

A

6,6-Dideuterio-7-methyl-5,6,7,8-tetrahydrodpterin

6,6-Dideuterio-7-methyl-5,6,7,8-tetrahydrodpterin

B

7-Methyl-5,6,7,8-tetrahydrodpterin-dihydrochlorid

7-Methyl-5,6,7,8-tetrahydrodpterin-dihydrochlorid

6,7-cis-Dideuterio-7-methyl-5,6,7,8-tetrahydrodpterin

6,7-cis-Dideuterio-7-methyl-5,6,7,8-tetrahydrodpterin

6,7-trans-Dideuterio-7-methyl-5,6,7,8-tetrahydrodpterin

6,7-trans-Dideuterio-7-methyl-5,6,7,8-tetrahydrodpterin

Conditions
ConditionsYield
With trifluoroacetic acid-d1; deuterium; platinum Yield given. Yields of byproduct given. Title compound not separated from byproducts;
7-methylpterin
13040-58-9

7-methylpterin

7-Methyl-5,6,7,8-tetrahydrodpterin-dihydrochlorid

7-Methyl-5,6,7,8-tetrahydrodpterin-dihydrochlorid

Conditions
ConditionsYield
With hydrogen; trifluoroacetic acid; platinum Yield given;
7-methylpterin
13040-58-9

7-methylpterin

6,7-cis-Dideuterio-7-methyl-5,6,7,8-tetrahydrodpterin

6,7-cis-Dideuterio-7-methyl-5,6,7,8-tetrahydrodpterin

Conditions
ConditionsYield
With trifluoroacetic acid-d1; deuterium In d(4)-methanol; water-d2 at 22℃; under 760 Torr; Product distribution; Mechanism;
With trifluoroacetic acid-d1; deuterium; platinum In diethyl ether; water-d2 at 22℃; under 760 Torr;

13040-58-9Relevant articles and documents

185. Ueber Pterinchemie. Zum Verlauf der katalytischen Reduktion von 6-Methylpterin

Ganguly, Abhoy N.,Sengupta, Pradip K.,Bieri, Jost H.,Visconti, Max

, p. 1754 - 1758 (1980)

The catalytic hydrogenation of 6-methylpterin (I) in neutral or weekly acidic solutions begins, as for the 7-methylpterin, by the thermodynamically controlled reduction of the 7,8-double bond.It is not possible to say, according to our experiments, which double bond, either the 5,6 or the 7,8, is first reduced in strongly acidic solution.However, a 5,8-reduction can be excluded.

HALOGENATION OF N-ACYL-α-AMINO KETONES

Zav'yalov, S. I.,Ezhova, G. I.

, p. 1830 - 1833 (1980)

-

FORMATION OF SUBSTITUTED PTERIDINES FROM 5,6-DIAMINOPYRIMIDINES AND N-(ARYLSULFONYL)IMIDAZOLIN-2-ONES

Zav'yalov, S. I.,Zavozin, A. G.

, p. 1355 - 1357 (1981)

-

-

Storm et al.

, p. 3925 (1971)

-

-

Forrest,Walker

, p. 2077,2079 Anm.,2081 (1949)

-

-

Zav'yalov et al.

, (1973)

-

Ueber Pterinchemie. 73. Mitteilung. Zum Verlauf der katalytischen Reduktion von 7-Methylpterin

Ganguly, Abboy N.,Sengupta, Pradip K.,Bieri, Jost H.,Viscontini, Max

, p. 395 - 401 (1980)

The catalytic hydrogenation of 7-methylpterin (VII) in a neutral solution occurs first by the reduction of the 7,8-double bond (thermodynamically-controlled reaction) followed by the reduction of the 5,6-double bond.On the contrary, in an acidic medium like CF3COOH, the 5,6-double bond is reduced first (kinetically-controlled reaction).The dihydro-intermermediate then undergoes a -H-rearrangement leading to the formation of the thermodynamically more stable 7-methyl-7,8-dihydropterin (XV) which on further reduction gives 7-methyl-5,6,7,8-tetrahydropterin (VIII).The catalytic reduction of 7-methyl-7,8-dihydropterin (XV) with deuterium gives stereoselectively a sole product with D at C(6) in the equatorial position.

-

Zav'yalov,Budkova

, (1978)

-

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