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Cas Database |
| Name |
2-Amino-6-chloropurine |
EINECS | 233-686-7 | ||
| CAS No. | 10310-21-1 | Density | 1.77 g/cm3 | ||
| PSA | 80.48000 | LogP | 1.16970 | ||
| Solubility | 1.7 g/L (20 °C) in water | Melting Point |
300 °C |
||
| Formula | C5H4ClN5 | Boiling Point | 623.9 °C at 760 mmHg | ||
| Molecular Weight | 169.573 | Flash Point | 331.1 °C | ||
| Transport Information | N/A | Appearance | white to light yellow crystal powder | ||
| Safety | 22-24/25-36-26 | Risk Codes | 20/21/22-36/37/38 | ||
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
||
| Synonyms |
6-chloro-7H-purin-2-amine;6-chloro-5H-purin-2-amine;2-Amino-6-chlorpurine;1H-Purin-2-amine, 6-chloro-;6-Chloroguanine;1H-Purin-2-amine, 6-chloro- (9CI);Purine, 2-amino-6-chloro-;6-CHLORO-1H-PURIN-2-AMINE;6-Chloro-7H-purin-2-ylamine;6-Chloro-2-aminopurine;2-Amino-6-chloropurine(6-Chloroguanine);6-Chloro guanine 98%;2-Amino-6-chloropurine ( 6-Chloroguanine );2-Amino-6-chloro-9H-purine;6-chloro-9H-purin-2-amine;2-amino-6-chloro-purin; |
Article Data | 27 | ||
2-Amino-6-chloropurine Synthetic route
- 190962-00-6
6-chloro-2-formylaminopurine acetate
- 10310-21-1
2-Amino-6-chloropurin
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 20℃; for 3h; | 89% |
- 3056-33-5
2,9-diacetylguanine
- 10310-21-1
2-Amino-6-chloropurin
| Conditions | Yield |
|---|---|
| With trichlorophosphate In 1,2-dichloro-ethane; PEG-2000 at 80℃; for 6.33333h; | 84% |
- 10310-21-1
2-Amino-6-chloropurin
| Conditions | Yield |
|---|---|
| With methanol; hydrazine hydrate at 50℃; Reagent/catalyst; Solvent; Reflux; | 81.6% |
- 149948-30-1
N-(6-chloro-9H-purin-2-yl)formamide
- 10310-21-1
2-Amino-6-chloropurin
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 20 - 80℃; for 3h; | 80% |
| With water; sodium hydrogencarbonate at 25℃; for 3h; Reagent/catalyst; | 73.3% |
- 10310-21-1
2-Amino-6-chloropurin
| Conditions | Yield |
|---|---|
| 75% |
- 73-40-5
2-amino-1,9-dihydro-6H-purin-6-one
- 10310-21-1
2-Amino-6-chloropurin
| Conditions | Yield |
|---|---|
| With trichlorophosphate In N,N-dimethyl-formamide at 0℃; for 6h; Reflux; | 70% |
| With trichlorophosphate In ammonium hydroxide; water; N,N-dimethyl-formamide | 55% |
| With tetraethylammonium chloride; trichlorophosphate In water; acetonitrile | 42% |
| Conditions | Yield |
|---|---|
| With trichlorophosphate In water; acetone; acetonitrile | 54% |
| Conditions | Yield |
|---|---|
| With N-benzyl-N,N,N-triethylammonium chloride; 1,1,1,3,3,3-hexamethyl-disilazane; trichlorophosphate In N,N-dimethyl acetamide; acetonitrile | |
| With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; 1,1,1,3,3,3-hexamethyl-disilazane; trichlorophosphate In N,N-dimethyl acetamide; acetonitrile |
- 10310-21-1
2-Amino-6-chloropurin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: trichlorophosphate 2: water; sodium hydroxide View Scheme |
- 97965-44-1
2-acetamido-9-acetyl-6-chloropurine
- 10310-21-1
2-Amino-6-chloropurin
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide |
2-Amino-6-chloropurine Specification
The IUPAC name of 2-Amino-6-chloropurine is 6-chloro-7H-purin-2-amine. With the CAS registry number 10310-21-1, it is also named as 6-Chloroguanine. The product's categories are Fine Chemical & Intermediates; Starting Raw Materials & Intermediates; Miscellaneous Biochemicals; Amines; Nucleotides and Nucleosides; Purines; Biochemistry; Nucleobases and Their Analogs; Nucleosides, Nucleotides & Related Reagents; Bases & Related Reagents; Fused Ring Systems. It is white to light yellow crystal powder which is used as intermediate of antivirotic Famciclovir and Acyclovir. What's more, this chemical can be obtained by 2,9-Diacetylguanine or 2,4,5-Triamino-6-chloropyrimidine. Additionally, it should be sealed in the container and stored in the cool and dry place.
The other characteristics of 2-Amino-6-chloropurine can be summarized as: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.28; (8)ACD/KOC (pH 7.4): 32.65; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.826; (13)Molar Refractivity: 41.93 cm3; (14)Molar Volume: 95.7 cm3; (15)Polarizability: 16.62×10-24 cm3; (16)Surface Tension: 116.8 dyne/cm; (17)Enthalpy of Vaporization: 92.39 kJ/mol; (18)Vapour Pressure: 1.75E-15 mmHg at 25°C; (19)Tautomer Count: 9; (20)Exact Mass: 169.015523; (21)MonoIsotopic Mass: 169.015523; (22)Topological Polar Surface Area: 80.5; (23)Heavy Atom Count: 11; (24)Complexity: 154.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. So people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1nc(nc2ncnc12)N
2. InChI:InChI=1/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
3. InChIKey:RYYIULNRIVUMTQ-UHFFFAOYAP
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