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3-CYANOPYRROLE

3-CYANOPYRROLE structure

3-CYANOPYRROLE 

structure
  • CAS No:

    7126-38-7

  • Formula:

    C5H4N2

  • Chemical Name:

    3-CYANOPYRROLE

  • Synonyms:

    3-CYANOPYRROLE;3-Cyano-1H-pyrrole;pyrrole-3-carbonitrile;1H-Pyrrole-3-carbonitrile

3-CYANOPYRROLE Basic Attributes

92.1

92.037445

DTXSID60340358

2933990090

Characteristics

39.6

0.4

1.2±0.1 g/cm3

56-56.5℃

252.3°C at 760 mmHg

97.6±5.0 °C

1.550

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-CYANOPYRROLE Use and Manufacturing

After methyl 1H-To a solution oft-butyl 5-bromopyrimidin-2-yl((trans-3-fluoro-l-(3-fluoropyridin- 2-yl)cyclobutyl)methyl) carbamate (1.0 g, 2.8 mmol) in 15 mL of toluene (degassed with nitrogen) was added copper iodide (100 mg, 0.6 mmol), potassium phosphate (1.31 g, 6.2 mmol), trans-N, N'-dimethylcyclohexane-l, 2-diamine (320 mg, 2.2 mmol), and 3- cyanopyrrole (310 mg, 3.6 mmol). The reaction was heated to 100 C and stirred for 2 h. The reaction was then concentrated and purified by silica gel chromatography (EtOAc/hexanes) to afford 1.1 g of t-butyl 5-(3-cyano-lH-pyrrol-l-yl)pyrimidin-2-yl(((trans)-3-fluoro-l-(3- fluoropyridin-2-yl)cyclobutyl)methyl)carbamate as a clear oil.(5)-3-(3-Cyano-lH-pyrrol-l-yl)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy^ (0697) methylpropanamide (C17H13 (0698) (0699) [00318] To a solution of lH-

Computed Properties

Molecular Weight:92.10
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:92.037448136
Monoisotopic Mass:92.037448136
Topological Polar Surface Area:39.6
Heavy Atom Count:7
Complexity:99.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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