N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide
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N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide
structure -
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CAS No:
171887-03-9
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Formula:
C5H4Cl2N4O
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Chemical Name:
N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide
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Synonyms:
Formamide,N-(2-amino-4,6-dichloro-5-pyrimidinyl)-;N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide;N-(2-Amino-4,6-dichloropyrimidin-5-yl)formamide
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CAS No:
N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide Basic Attributes
207.01746
207.02
425-650-6
DTXSID30436651
2933599090
Characteristics
80.9
1
1.742±0.06 g/cm3(Predicted)
4.5 °C
554.8±60.0 °C(Predicted)
289.3±32.9 °C
1.706
0mmHg at 25°C
Safety Information
3
R36/38:Irritating to eyes and skin . R36/37/38:Irritating to eyes, respiratory system and skin .
S26-S36-S37/39
Xi
P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P501
H302
|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide Use and Manufacturing
2, 5-Diamino-4, 6-dichlorpyrimidin (0, 01 mol; 2, 0 g) und Wasser (0, 25 mol; 4, 55 ml) wurden bei Raumtemperatur geruehrt. Dann wurde 98percentige Ameisensaeure (0, 4 mol; 18, 27 g; 14, 97 ml) zur Reaktion hinzugegeben. Anschliessend wurde die Reaktion auf 50 - 55 °C erwaermt und 3 h bei dieser Temperatur gehalten. Dann wurde Toluol (0, 38 mol; 34, 6 g; 40 ml) fuer die azeotrope Destillation unter hohem Vakuum bei 50 °C hinzugegeben (Toluol wurde, um eine gute Destillation zu gewaehrleisten, 2mal hinzugegeben, also insgesamt 80 ml). Anschliessend wurde das Produkt filtriert, mit Wasser gewaschen und dann unter Vakuum bei 60 °C getrocknet. Es wurden 0, 01 mol (2, 0 g) des obengenannten Produktes, entsprechend einer Ausbeute von ca. 90percent, erhalten.2, 5-diamino-4, 6-dihydroxypyrimidine hydrochloride (178.6 g, 1 mol), phosphorus oxychloride (153.3 g, 1 mol) and thionyl chloride (475.9 g, 4 mol) N, N-Dimethylformamide (204.7 g, 2.8 mol) was added slowly and the temperature was raised to 80 ° C. for 2.5 hours. After completion of the reaction, the reaction solution was slowly added to a prepared buffered saline solution (2000 mL of water and 50 g of ammonium phosphate ), The reaction solution was adjusted to pH = 1.0 with ammonia, warmed to 50 , incubated for 3 hours, and then adjusted to pH = 4.5 with ammonia, heated to 85 ° C for 8 hours, cooled and filtered to give the product 2-amino- -Dichloro-5-carboxamidopyrimidine 171g, yield 82.6percent, HPLC purity 99.5percent
Abacavir intermediate. A purine derivative Prasugrel intermediate
Computed Properties
Molecular Weight:207.01
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:205.9762162
Monoisotopic Mass:205.9762162
Topological Polar Surface Area:80.9
Heavy Atom Count:12
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide
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