4(3H)-Pteridinone,2-amino-6-methyl- supplier

Name
6-METHYLPTERINE
EINECS
CAS No. 708-75-8
Article Data38
CAS DataBase
Density 1.76 g/cm³
Solubility
Melting Point >300 °C
Formula C₇H₇N₅O
Boiling Point 432 °C at 760 mmHg
Molecular Weight 177.165
Flash Point 215.1 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4(1H)-Pteridinone,2-amino-6-methyl- (8CI,9CI);2-Amino-4-hydroxy-6-methylpteridine;6-Methylpterin;
PSA 97.55000
LogP 0.18490

Synthetic route

: 57-55-6
propylene glycol

: 2,5,6-triaminopyrimidin-4(3H)-one sulfate

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

Conditions

Conditions	Yield
With sodium hydrogensulfite; sodium sulfite In water at 0 - 20℃; for 13h;	80%

: 1004-75-7
2,5,6-triamino-4-hydroxypyrimidine

: 78-98-8
2-oxopropanal

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

Conditions

Conditions	Yield
Stage #1: 2,5,6-triamino-4-hydroxypyrimidine With sodium sulfite In water Stage #2: 2-oxopropanal With sodium hydrogensulfite In water at 5 - 20℃;	80%

: 35011-47-3
2,4,5-triamino-6-hydroxypyrimidine sulfate

: 78-98-8
2-oxopropanal

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

Conditions

Conditions	Yield
With sodium metabisulfite; sodium sulfite In water at 0 - 25℃; for 16.5h;	75%

: 78-98-8
2-oxopropanal

: 2,5,6-triaminopyrimidin-4(3H)-one dihydrochloride

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

Conditions

Conditions	Yield
In water at 0 - 5℃; for 0.0172222h; Isay condensation; microwave irradiation;	70%

: 142645-50-9
6-methyl-2-pivaloylamino-4(3H)-pteridinone

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

Conditions

Conditions	Yield
With perchloric acid at 70 - 80℃; for 0.25h;	62%

: 113193-95-6
7-methoxy-6-methylpterin

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

B: 113193-97-8
2-Amino-8-ethyl-1,9-dihydro-purin-6-one

Conditions

Conditions	Yield
With aluminum-mercury amalgam; ammonia In methanol; water for 10h; Ambient temperature;	A 14% B 42%

: 96-26-4
dihydroxyacetone

: 2,5,6-triaminopyrimidin-4(3H)-one dihydrochloride

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

Conditions

Conditions	Yield
for 0.0177778h; Isay condensation; microwave irradiation;	40%

: 1004-75-7
2,5,6-triamino-3,4-dihydro-4-pyrimidinone

: 73323-67-8
N-acetyl-α-aminopropionaldehyde

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

Conditions

Conditions	Yield
With triethylamine In water; N,N-dimethyl-formamide at 20℃; for 120h; Product distribution; various substituted carbonyl compounds, regioselectivity;	30%
With triethylamine In water; N,N-dimethyl-formamide at 20℃; for 120h;	30%

: 513-88-2
1,1-Dichloroacetone

: 2,5,6-triaminopyrimidin-4(3H)-one dihydrochloride

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

Conditions

Conditions	Yield
for 0.0208333h; Isay condensation; microwave irradiation;	28%

: 67-56-1
methanol

: 1004-75-7
2,5,6-triamino-3,4-dihydro-4-pyrimidinone

: 513-88-2
1,1-Dichloroacetone

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

Conditions

Conditions	Yield
bei pH 1.6;

...Expand

: 708-74-7
2,4-diamino-6-methylpteridine

: 623-11-0
1-methyl-4-nitrosobenzene

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

Conditions

Conditions	Yield
unter Ausschluss von Luft;

: 708-74-7
2,4-diamino-6-methylpteridine

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

Conditions

Conditions	Yield
With sodium hydroxide; water

: 120568-20-9
(2-amino-4-oxo-3,4-dihydro-pteridin-6-yl)-acetic acid

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

Conditions

Conditions	Yield
at 280℃;

: 1-(2-amino-4-oxo-3,4-dihydro-pteridin-6-ylmethyl)-pyridinium; iodide

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

Conditions

Conditions	Yield
With sodium hydroxide; zinc und anschliessend mit wss.H2O2;

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

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

A: 13040-58-9
7-methylpterin

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

Conditions

Conditions	Yield
With sodium disulfite In water at 80℃; for 6h; Product distribution; further cyclizating agents;

...Expand

: 5392-28-9
2,4,5,6-tetraaminopyrimidine sulfate

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

A: 13040-58-9
7-methylpterin

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

Conditions

Conditions	Yield
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;

...Expand

: 102069-94-3
6-methyldihydropterin hydrochloride

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

B: 17377-13-8
6-Methyl-7,8-dihydropterin

C: 35695-16-0, 66216-72-6, 67129-01-5, 67129-04-8, 69113-63-9, 74879-09-7, 74923-39-0, 82970-20-5
(6-R,S)-6-methyl-5,6,7,8-tetrahydropterin dihydrochloride

Conditions

Conditions	Yield
With hydrogenchloride pH 3.0; Yields of byproduct given;	A n/a B 35 % Chromat. C n/a
With hydrogenchloride Product distribution; pH 3.0;	A n/a B 35 % Chromat. C n/a

...Expand

: 116-09-6
hydroxy-2-propanone

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

A: 13040-58-9
7-methylpterin

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

Conditions

Conditions	Yield
Yield given. Multistep reaction;

...Expand

: 17377-13-8
6-Methyl-7,8-dihydropterin

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

Conditions

Conditions	Yield
With dihydrogen peroxide at 37℃; pH=7.0; Kinetics;
With oxygen In water at 25℃; pH=7.0; Kinetics; Temperature;	Ca. 50 %Chromat.

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

: C7H4(2)H5N5O*2Cl(2)H

Conditions

Conditions	Yield
With sodium dithionite; deuteriated sodium hydroxide In water-d2 at 22℃; for 48h;	87%

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

: 1538-75-6
2,2-dimethylpropanoic anhydride

: 142645-50-9
6-methyl-2-pivaloylamino-4(3H)-pteridinone

Conditions

Conditions	Yield
	78%
With dmap for 3h; Heating;	40%

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

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 479414-70-5
2-{[(dimethylamino)methylene]amino}-3,6-dimethylpteridin-4(3H)-one

Conditions

Conditions	Yield
In 1,4-dioxane for 3h; Heating;	74%

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

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 479414-72-7
2-{[(dimethylamino)methylene]amino}-6-methylpteridin-4(3H)-one

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 3.5h;	71%

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

: 108-24-7
acetic anhydride

: 19962-30-2
N-(6-methyl-4-oxo-1,4-dihydropteridin-2-yl)acetamide

Conditions

Conditions	Yield
With acetic acid at 140℃;	70%

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

: 98-11-3
benzenesulfonic acid

: 942-41-6
6-methyl-5,6,7,8-tetrahydrobopterin

Conditions

Conditions	Yield
Stage #1: bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In tetrahydrofuran; methanol Stage #2: 2-amino-6-methylpteridin-4(1H)-one; benzenesulfonic acid With hydrogen In methanl at 70℃; under 60006 Torr; for 15h; Product distribution / selectivity;	63%

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

: 97-72-3
2-Methylpropionic anhydride

: 79-31-2
isobutyric Acid

: N-(6-methyl-4-oxo-3,4-dihydropteridin-2-yl)isobutyramide

Conditions

Conditions	Yield
With dmap at 80℃; for 2h;	62%

...Expand

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

: 97-72-3
2-Methylpropionic anhydride

: N-(6-methyl-4-oxo-3,4-dihydropteridin-2-yl)isobutyramide

Conditions

Conditions	Yield
With pyridine for 4.5h; Reflux;	57%

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

: 13401-19-9
6-methyl-1,2,3,4-tetrahydropteridine-2,4-dione

Conditions

Conditions	Yield
With perchloric acid at 110 - 130℃; for 0.75h;	42%
With hydrogenchloride; acetic acid; sodium nitrite

: 13040-58-9
7-methylpterin

: 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

Conditions

Conditions	Yield
With sulfuric acid unter Zutritt von Luft;

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

: 611-55-2
6,7-Dimethylpterin

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

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

: 107-13-1
acrylonitrile

: 114205-18-4
7-amino-2-methyl-8,9-dihydro-pyrimido[2,1-b]pteridin-11-one

Conditions

Conditions	Yield
With pyridine

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

: 4896-36-0
3-amino-6-methyl-pyrazine-2-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide

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

: 13040-58-9
7-methylpterin

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

: 17377-13-8
6-Methyl-7,8-dihydropterin

Conditions

Conditions	Yield
bei der elektrochemischen Reduktion an einer Quecksilber-Kathode;

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

: 942-41-6
6-methyl-5,6,7,8-tetrahydrobopterin

Conditions

Conditions	Yield
With sodium hydroxide Hydrogenation;
With hydrogen; benzenesulfonic acid; bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In methanol at 70℃; under 60006 Torr; for 15h; Product distribution / selectivity;

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

: 3116-65-2
(6R,S)-5-Formyl-6-methyl-5,6,7,8-tetrahydropterin

Conditions

Conditions	Yield
With formic acid; platinum Hydrogenation.und Behandeln des Reaktionsgemisches mit Acetanhydrid;

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

: 2-amino-6-dibromomethyl-3H-pteridin-4-one; hydrobromide

Conditions

Conditions	Yield
With water; hydrogen bromide; bromine

4(3H)-Pteridinone,2-amino-6-methyl- Specification

The 4(3H)-Pteridinone,2-amino-6-methyl-, with the CAS registry number 708-75-8, is also known as 4(1H)-Pteridinone, 2-amino-6-methyl-. It belongs to the product category of Piperidine. This chemical's molecular formula is C₇H₇N₅O and molecular weight is 177.16338. What's more, its systematic name is called 2-Amino-6-methylpteridin-4(1H)-one.

Physical properties about 4(3H)-Pteridinone,2-amino-6-methyl- are: (1)ACD/LogP: -1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.94; (8)ACD/KOC (pH 7.4): 3.94; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 61.69 Å²; (13)Index of Refraction: 1.842; (14)Molar Volume: 100.2 cm³; (15) Molar Refractivity: 44.5 cm³; (16)Surface Tension: 79.5 dyne/cm; (17)Density: 1.76 g/cm³; (18)Flash Point: 215.1 °C; (19)Enthalpy of Vaporization: 68.77 kJ/mol; (20)Boiling Point: 432 °C at 760 mmHg; (21)Vapour Pressure: 1.15E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C(/Nc1ncc(nc12)C)N
(2) InChI: InChI=1/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13)
(3) InChIKey: UDOGNMDURIJYQC-UHFFFAOYAE

Product Name

6-METHYLPTERINE

Synthetic route

4(3H)-Pteridinone,2-amino-6-methyl- Specification

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