9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine supplier

Name
9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine
EINECS 278-077-7
CAS No. 75128-73-3
Article Data22
CAS DataBase
Density 1.53 g/cm³
Solubility
Melting Point 204 °C
Formula C₁₂H₁₅N₅O₅
Boiling Point
Molecular Weight 309.282
Flash Point
Transport Information
Appearance white to light yellow crystal powder
Safety 26-36-37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms 9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine;N2-Acetyl-9-(2-acetoxyethoxymethyl)guanine;2,9-diacetylacyclovir;2-{[2-(acetylamino)-6-oxo-3,6-dihydro-9H-purin-9-yl]methoxy}ethyl acetate;9-[(2-Acetoxyethoxy)methyl]-acetylguanine;acetamide, N-[9-[[2-(acetyloxy)ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-;
PSA 128.20000
LogP -0.31180

Synthetic route

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

: 3056-33-5
2,9-diacetylguanine

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
at 105℃; for 80h;	95.1%
With toluene-4-sulfonic acid In toluene at 110℃; Temperature; Large scale;	94.3%

: diacetyl guanine

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
In methanol; dichloromethane	94%

: diacetylguanine

: diacetyl guanine

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
In methanol; toluene	91%

...Expand

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

: 108-24-7
acetic anhydride

: 118-00-3
G

A: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

B: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 100℃; for 20h;	A 86% B 0.5%
With sulfuric acid at 100℃; for 24h; Product distribution; other acid caclysts, temperature time, solvents; transpurination reaction of guanosine under various conditions;	A 43% B 35%
With phosphoric acid at 100℃; for 24h; Title compound not separated from byproducts;	A 47 % Chromat. B 38 % Chromat.

...Expand

: 59277-89-3
acycloguanosine

: 108-24-7
acetic anhydride

A: 102728-64-3
9-[(acetoxyethoxy)methyl]guanine

B: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
With dmap In N,N-dimethyl-formamide Acetylation;	A 84% B 4%

...Expand

: 160053-81-6
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-6-(p-fluorobenzenesulfonyloxy)-9H-purine

A: 102728-64-3
9-[(acetoxyethoxy)methyl]guanine

B: 120356-09-4
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-9H-purine

C: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
With palladium diacetate; 1,3-bis-(diphenylphosphino)propane; triethylammonium formate In 1,4-dioxane at 90℃; for 0.5h;	A 0.3% B 80.4% C 19.3%

...Expand

: 102728-64-3
9-[(acetoxyethoxy)methyl]guanine

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
With dmap In hexane; acetic anhydride; toluene	79%

: 59277-89-3
acycloguanosine

: 108-24-7
acetic anhydride

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
With pyridine for 1h; Heating;	75%

: 542-59-6
2-hydroxyethyl acetate

: N9-methyl-N2-acetylguanine

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
With bis(tertbutylcarbonyloxy)iodobenzene; palladium diacetate In toluene at 90℃; for 24h;	70%

: 19962-37-9
N-(6-oxo-6,9-dihydro-1H-purin-2-yl)acetamide

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
Stage #1: N-(6-oxo-6,9-dihydro-1H-purin-2-yl)acetamide; 1,1,1,3,3,3-hexamethyl-disilazane With ammonium sulfate for 2h; Heating; Stage #2: 2-acetoxyethyl acetoxymethyl ether; iodine-doped natural phosphate In acetonitrile Heating; Further stages.;	34%
Stage #1: N-(6-oxo-6,9-dihydro-1H-purin-2-yl)acetamide; 1,1,1,3,3,3-hexamethyl-disilazane With ammonium sulfate Heating; Stage #2: 2-acetoxyethyl acetoxymethyl ether; natural phosphate; zinc dibromide In acetonitrile for 2h; Heating;	10%

...Expand

: 646-06-0
1,3-DIOXOLANE

: 108-24-7
acetic anhydride

: 3056-33-5
2,9-diacetylguanine

A: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

B: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; acetic acid In toluene at 120℃; for 2.5h;	A 29% B 29%

...Expand

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

: 104-15-4
toluene-4-sulfonic acid

: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

A: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

B: 7,9-bis[(2-acetoxyethoxy)methyl]-N2-acetylguanine

Conditions

Conditions	Yield
In chlorobenzene at 130℃; Substitution;	A 28% B 8%

...Expand

: 102728-65-4
Acetic acid 2-(2-oxo-propoxy)-ethyl ester

: 3056-33-5
2,9-diacetylguanine

A: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

B: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid 1.) 120-125 deg C, 2.) 150 deg C, 45 min;	A 27% B 22%

...Expand

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

: 118-00-3
G

A: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

B: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
With acetic anhydride; toluene-4-sulfonic acid at 100℃; for 20h;	A 22% B 20%

...Expand

: 646-06-0
1,3-DIOXOLANE

: 3056-33-5
2,9-diacetylguanine

A: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

B: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
With acetic anhydride; toluene-4-sulfonic acid In acetic acid for 1h; Heating;	A 18% B 2.3%

...Expand

: 73-40-5
2-amino-1,9-dihydro-6H-purin-6-one

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

: 108-24-7
acetic anhydride

A: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

B: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid 1.) acetic acid, 140 deg C, 18 h, 2.) DMSO, 100 deg C, 16 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 109-86-4
2-methoxy-ethanol

: 108-24-7
acetic anhydride

: 3056-33-5
2,9-diacetylguanine

A: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

B: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid 1.) AcOH, 2.) toluene, reflux, 16 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 160053-80-5
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-6-(p-toluenesulfonyloxy)-9H-purine

A: 102728-64-3
9-[(acetoxyethoxy)methyl]guanine

B: 120356-09-4
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-9H-purine

C: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

D: 2-acetylamino-9-<(2-hydroxyethoxy)methyl>-9H-purine

Conditions

Conditions	Yield
With hydrogen; Lindlar's catalyst In ethanol at 70℃; for 24h; Further byproducts given;	A 6.6 % Chromat. B 87.3 % Chromat. C 1.0 % Chromat. D 4.7 % Chromat.

...Expand

: 160053-81-6
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-6-(p-fluorobenzenesulfonyloxy)-9H-purine

A: 92924-35-1
9-<(2-acetoxyethoxy)methyl>-2-amino-9H-purine

B: 102728-64-3
9-[(acetoxyethoxy)methyl]guanine

C: 110104-37-5
2-acetylamino-9-<(2-hydroxyethoxy)methyl>-1,9-dihydro-6H-purin-6-one

D: 120356-09-4
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-9H-purine

E: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

F: 2-acetylamino-9-<(2-hydroxyethoxy)methyl>-9H-purine

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 70℃; for 1h; Product distribution; other reagents;	A 6.0 % Chromat. B 1.2 % Chromat. C 0.8 % Chromat. D 74.7 % Chromat. E 12.3 % Chromat. F 4.7 % Chromat.

...Expand

: 160053-81-6
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-6-(p-fluorobenzenesulfonyloxy)-9H-purine

A: 110104-37-5
2-acetylamino-9-<(2-hydroxyethoxy)methyl>-1,9-dihydro-6H-purin-6-one

B: 120356-09-4
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-9H-purine

C: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

D: 2-acetylamino-9-<(2-hydroxyethoxy)methyl>-9H-purine

Conditions

Conditions	Yield
With palladium diacetate; triethylammonium formate; triphenylphosphine In 1,4-dioxane at 90℃; for 1h; Further byproducts given;	A 3.0 % Chromat. B 57.6 % Chromat. C 18.2 % Chromat. D 20.8 % Chromat.

...Expand

: 160053-79-2
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-6-(2,4,6-trimethylbenzenesulfonyloxy)-9H-purine

A: 102728-64-3
9-[(acetoxyethoxy)methyl]guanine

B: 120356-09-4
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-9H-purine

C: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

D: 2-acetylamino-9-<(2-hydroxyethoxy)methyl>-9H-purine

Conditions

Conditions	Yield
With hydrogen; Lindlar's catalyst In ethanol at 70℃; for 24h; Further byproducts given;	A 2.2 % Chromat. B 91.8 % Chromat. C 1.1 % Chromat. D 4.5 % Chromat.

...Expand

: 30747-23-0
Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-(2-acetylamino-6-oxo-1,6-dihydro-purin-9-yl)-tetrahydro-furan-3-yl ester

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

A: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

B: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 100℃; for 48h;	A 42 % Chromat. B 30 % Chromat.

...Expand

: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
at 90 - 100℃; under 30 Torr; for 22.5h;

: 30747-23-0
Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-(2-acetylamino-6-oxo-1,6-dihydro-purin-9-yl)-tetrahydro-furan-3-yl ester

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

A: 30747-22-9
7-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-N2-acetylguanine

B: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

C: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
In chlorobenzene; acetonitrile at 120℃; for 2h; Mechanism;
With toluene-4-sulfonic acid In chlorobenzene; acetonitrile at 120℃; for 2h;

...Expand

: 30747-22-9
7-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-N2-acetylguanine

: 59278-00-1
2-acetoxyethyl acetoxymethyl ether

A: 30747-23-0
Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-(2-acetylamino-6-oxo-1,6-dihydro-purin-9-yl)-tetrahydro-furan-3-yl ester

B: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

C: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In chlorobenzene; acetonitrile at 120℃; for 2h;

...Expand

: 7,9-bis[(2-acetoxyethoxy)methyl]-N2-acetylguanine

A: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

B: 91702-60-2
7-<(2-acetoxyethoxy)methyl>-N2-acetylguanine

Conditions

Conditions	Yield
at 210℃; for 0.0833333h; Decomposition;
In chlorobenzene at 70℃; for 2h; Decomposition;

: 73-40-5
2-amino-1,9-dihydro-6H-purin-6-one

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: triflic acid / 32 h / 160 °C 1.2: 93 percent / 12 h / Heating 2.1: 85 percent / acetic acid / H2O / 2 h / 80 °C 3.1: 75 percent / pyridine / 1 h / Heating View Scheme

: 364634-35-5
9-(2-trimethylsilyloxyethoxymethyl)guanine

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85 percent / acetic acid / H2O / 2 h / 80 °C 2: 75 percent / pyridine / 1 h / Heating View Scheme

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 59277-89-3
acycloguanosine

Conditions

Conditions	Yield
With sodium hydroxide In water at 85 - 95℃; for 3h;	97.5%
With methylamine In water at 23℃; for 1h;	93%
With sodium hydroxide	92%

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 102728-64-3
9-[(acetoxyethoxy)methyl]guanine

Conditions

Conditions	Yield
With triethylamine In ethanol for 10h; Heating;	97%
With triethanolamine In methanol	92%
With methanol; sodium methylate for 16h; Ambient temperature;	81%
With Schwartz's reagent In tetrahydrofuran at 20℃; Inert atmosphere; chemoselective reaction;	47%
Multi-step reaction with 2 steps 1: 81 percent / DMAP, Et3N / CH2Cl2 / 1 h / Ambient temperature 2: 2.2 percent Chromat. / hydrogen / Pd/CaCO3 / ethanol / 24 h / 70 °C View Scheme

: 6553-96-4
2,4,6-triisopropylphenylsulfonyl chloride

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 160053-78-1
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-6-(2,4,6-triisopropylbenzenesulfonyloxy)-9H-purine

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane Ambient temperature;	95%

: 1336-21-6
ammonium hydroxide

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 59277-89-3
acycloguanosine

Conditions

Conditions	Yield
In methanol	90%

: 773-64-8
2-mesitylenesulphonyl chloride

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 160053-79-2
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-6-(2,4,6-trimethylbenzenesulfonyloxy)-9H-purine

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane for 1h; Ambient temperature;	81%

: 10025-99-7
potassium tetrachloroplatinate(II)

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 136686-48-1, 174173-25-2
C24H30Cl2N10O10Pt

Conditions

Conditions	Yield
In water molar ratio K2PtCl4:ligand = 1:2, suspension stirred at room temp. for 3 d; washed with water, methanol, ether; elem. anal.;	80%

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 83-01-2
diphenylcarbamic chloride

: 112233-78-0
9-<(2-acetoxyethoxy)methyl>-2-N-acetyl-6-O-(diphenylcarbamoyl)guanine

Conditions

Conditions	Yield
With pyridine; N-ethyl-N,N-diisopropylamine at 20℃; for 4h;	77%

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 98-59-9
p-toluenesulfonyl chloride

: 160053-80-5
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-6-(p-toluenesulfonyloxy)-9H-purine

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane for 10h; Ambient temperature;	74%

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 92924-39-5
2-((2-acetamido-6-thioxo-1,6-dihydro-9H-purin-9-yl)methoxy)ethyl acetate

Conditions

Conditions	Yield
With [p-CH3OC6H4P(S)S]2 In pyridine for 7h; Heating;	74%
With diphosphorus pentasulfide In pyridine	65%

: 349-88-2
4-Fluorobenzenesulfonyl chloride

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 160053-81-6
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-6-(p-fluorobenzenesulfonyloxy)-9H-purine

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane for 24h; Ambient temperature;	70%

: 12012-50-9
potassium trichloro(ethene)platinate(II)

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 136686-43-6
trans-{PtCl2(η(2)-C2H4)(9-(2-acetoxyethoxymethyl)-N(2)-acetylguanine)}

Conditions

Conditions	Yield
In methanol stoich. amt. of C12H15N5O5, 2 h of stirring at 0°C, evapn. of solvent in vac.; dissolved in the min. amt. of dichloromethane, filtered, solvent slowly evapd. in vac.; elem. anal.;	70%

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 110104-37-5
2-acetylamino-9-<(2-hydroxyethoxy)methyl>-1,9-dihydro-6H-purin-6-one

Conditions

Conditions	Yield
With sodium methylate In methanol at 23℃; for 0.266667h;	67%
With methanol; sodium at 21℃; for 0.266667h;	57%
With ammonium hydroxide at 50℃; for 1h;	55%

: 15274-33-6
cis-bis(dimethylsulfoxide)dichloroplatinum(II)

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 136686-46-9, 136778-46-6
trans-(PtCl2(DMSO)(9-(2-acetoxyethoxymethyl)-N(2)-acetylguanine))

: 136686-46-9, 136778-46-6
cis-(PtCl2(DMSO)(9-(2-acetoxyethoxymethyl)-N(2)-acetylguanine))

Conditions

Conditions	Yield
In methanol stoich. amt., stirring for 1 day; redn. of vol., filtration, excess of diethyl ether, pptn.; elem. anal.;	A 65% B n/a

...Expand

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 100-39-0
benzyl bromide

A: 2-Acetamido-9-[(2-acetoxyethoxy)methyl]-6-benzyloxypurine

B: 9-[(2-Acetoxyethoxy)methyl]-2-(N-benzylacetamido)-6-benzyloxypurine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 16h; Alkylation;	A 50% B 13%

...Expand

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 120356-08-3
9-<(2-acetoxyethoxy)methyl>-2-acetylamino-6-chloro-9H-purine

Conditions

Conditions	Yield
With 2,4,6-trimethyl-pyridine; tetraethylammonium chloride; trichlorophosphate In acetonitrile for 0.166667h; Heating;	37%
With N,N-diethylaniline; trichlorophosphate In acetonitrile

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: 74-88-4
methyl iodide

A: 9-[(2-Acetoxyethoxy)methyl]-6-methoxy-2-(N-methylacetamido)purine

B: 2-Acetamido-9-[(2-acetoxyethoxy)methyl]-6-methoxypurine

C: 9-[(2-Acetoxyethoxy)methyl]-1-methyl-2-(N-methylacetamido)-6-oxopurine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 16h; Methylation;	A 8% B 4% C 33%

...Expand

: 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one

: Acetic acid 2-(2-acetylamino-8-fluoro-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethyl ester

Conditions

Conditions	Yield
With fluorine In chloroform for 1h; Ambient temperature;	30%

9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine Specification

The Acetamide,N-[9-[[2-(acetyloxy)ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-, with the CAS registry number 75128-73-3 and EINECS registry number 278-077-7, is a kind of white to light yellow crystal powder, and belongs to the following product categories: Active Pharmaceutical Ingredients; Heterocyclic Compounds; Heterocycles; Impurities; Intermediates & Fine Chemicals; Pharmaceuticals. And the molecular formula of the chemical is C₁₂H₁₅N₅O₅. It is always used as intermediates of acyclovir.

The physical properties of Acetamide,N-[9-[[2-(acetyloxy)ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]- are as followings: (1)# of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): -0.75; (3)ACD/LogD (pH 7.4): -0.77; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 10; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 106.33 Å²; (12)Index of Refraction: 1.654; (13)Molar Refractivity: 73.88 cm³; (14)Molar Volume: 201.5 cm³; (15)Polarizability: 29.29×10^-24cm³; (16)Surface Tension: 60.2 dyne/cm; (17)Density: 1.53 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC/1=N/C(=O)c2ncn(c2N\1)COCCOC(=O)C)C
(2)InChI: InChI=1/C12H15N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)13-5-17(10)6-21-3-4-22-8(2)19/h5H,3-4,6H2,1-2H3,(H2,14,15,16,18,20)
(3)InChIKey: VBHLKZHSCMQLTI-UHFFFAOYAF

Product Name

9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine

Synthetic route

9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine Specification

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