5-Bromo-2-pyrimidinecarbonitrile
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5-Bromo-2-pyrimidinecarbonitrile
structure -
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CAS No:
38275-57-9
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Formula:
C5H2BrN3
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Chemical Name:
5-Bromo-2-pyrimidinecarbonitrile
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Synonyms:
2-Pyrimidinecarbonitrile,5-bromo-;5-Bromo-2-pyrimidinecarbonitrile;5-Bromo-2-cyanopyrimidine
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CAS No:
Characteristics
49.6
0.9
White to yellow Solid
1.9±0.1 g/cm3
317.7°C at 760 mmHg
145.9±25.7 °C
1.618
Slightly soluble in water.
Room temperature.
Safety Information
6.1
3077
20/21/22-37/38-41-50
26-36/37-39-61
Xi,Xn,N
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromo-2-pyrimidinecarbonitrile Use and Manufacturing
Preparation 63 5-Bromo-pyrimidine-2-carbonitrile A solution of 5-bromo-2-chloropyrimidine (10g, 51.8mmol) in dimethylsulfoxide (26ML)-WAS-ADDED TO : A MIXTURE, of sodium cyandie (2.59g, 51.8mmol) and triethylenediamine (1. 2g, 10. 4mmol) in dimethylsulfoxide (14mL) and water (28ML). THE RESULTING mixture was stirred for 18 hours at ROOM TEMPERATURE. THE ; mixture was-then diluted with water (130MOLY and extracted with diethyl ether (3x150mL) the combined organic solutions were dried over sodium sulfate and concentrated in vacuo to give a pale yellow solid. Re-crystallisation of the solid from hot dichloromethane afforded the title product in 99percent yield, 9.4g. 1HNMR (CDCL3, 400MHZ) No.: 8.84 (S, 2H).Example 50; 2-Benzoyl-pyrimidine-5-carboxylic acid morpholin-4-ylamide; To a solution of NaCN (0.849 g, 17.32 mmol) and DABCO (0.390 g, 3.48 mmol) in a mixture of DMSO (4 ml) and HA mixture of 5-bromo-2- chloropynmidine (20 g, 1 03.40 mmol, 1 .00 equiv), 1 , 4-diaza-bicyclo[2.2.2]octane (2.32 g), and potassium carbon itri le (6.72 g, 1 03.20 mmol, 1 .00 equiv) in water (54 2 mL) and DMSO (80 mL) was stirred overnight at rt. Water (50 mL) was then added and the resulting solution was extracted with 3 100 mL of ether. The combined organic layers were dried over anhydrous sodium sulfate and concentrated under vacuum to afford 1 6 g (84percent) of 5-bromopynmidine-2-carbonitri le as a yellow solid. 1HNMR (300 MHz, CDCl3) δ 8.94 (s, 2H).Nitrogen protection, In the reaction bottle, Add
Computed Properties
Molecular Weight:183.99
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Exact Mass:182.94321
Monoisotopic Mass:182.94321
Topological Polar Surface Area:49.6
Heavy Atom Count:9
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Business licensed Certified factoryManufactory Supplier of 5 Bromo 2 chloropyrimidineInquiryCAS No.: 38275-57-9Grade: Industrial GradeContent: 98%
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