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Home > Encyclopedia > 5-Fluoro-2-pyrimidinecarbonitrile

5-Fluoro-2-pyrimidinecarbonitrile

5-Fluoro-2-pyrimidinecarbonitrile structure

5-Fluoro-2-pyrimidinecarbonitrile 

structure
  • CAS No:

    38275-55-7

  • Formula:

    C5H2FN3

  • Chemical Name:

    5-Fluoro-2-pyrimidinecarbonitrile

  • Synonyms:

    2-Pyrimidinecarbonitrile,5-fluoro-;5-Fluoro-2-pyrimidinecarbonitrile;2-Cyano-5-fluoropyrimidine;5-Fluoropyrimidine-2-carbonitrile

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

Powder

5-Fluoro-2-pyrimidinecarbonitrile Basic Attributes

123.09

123.09

1308068-626-2

DTXSID70657727

2933599090

Characteristics

49.6

0.4

1.4±0.1 g/cm3

255.7°C at 760 mmHg

108.5±25.1 °C

1.508

Safety Information

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

H317

|Warning|H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Fluoro-2-pyrimidinecarbonitrile Use and Manufacturing

A 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdIntermediate 4; 5-Fluoropyrimidine-2-carbonitrileA 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdMethod 6; 5-Fluoropyrimidine-2-carbonitrile; A 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdA 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdIntermediate 15: 5-Fluoropyrimidine-2-carbonitrile. A 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdIntermediate 85-Fluoropyrimidine-2-carbonitrile; A 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdS-Fluoropyrimidine^-carbonitrileA 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdIntermediate 115-Fluoropyrimidine-2-carbonitrile; A 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdA 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdIntermediate 2; 5-Fluoropyrimidine-2-carbonitrileA 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdA 10 ml microwave vial was charged with 2-chloro-5-fluoropyrimidine (2.0 g, 15.09 mmol), PdStep 1: (0552) To 2-chloro-5-fluoropyrimidine (2 g, 15 mmol) in a 250-mL round bottom flask was added DMA (8 mL), tris(dibenzylideneacetone)dipalladium (0.544 g, 0.6 mmol), 1, 1′-bis(diphenylphosphino)ferrocene (0.67 g, 1.2 mmol), zinc cyanide (1.15 g, 9.8 mmol), and zinc dust (0.237 g, 3.62 mmol). The flask was capped, flushed with nitrogen, and stirred for 2.5 h at 100° C. The reaction was cooled to room temperature, filtered through celite, and washed with DCM. The filtrate was poured into water and extracted with DCM. The combined organic layers were dried (MgSO[0642] Synthesis of 5-fluoropyrimidine-2-carbonitrile: [0643] To a stirred solution of 2-chloro-5-fluoropyrimidine (280 mg, 2.11 mmol) in DMA (6 mL) under argon atmosphere were added zinc cyanide (161 mg, 1.37 mmol), PdTo a mixture of 1-ethyl-5, 6-difluoro-1, 2, 3, 4-tetrahydroisoquinoline, hydrochloride salt (500 mg, 2.15 mmol) and To a mixture of 1-ethyl-7-fluoro-6-methoxy-1, 2, 3, 4-tetrahydroisoquinoline (0.3 g, 1.43 mmol) and To a solution of 631

Computed Properties

Molecular Weight:123.09
XLogP3:0.4
Hydrogen Bond Acceptor Count:4
Exact Mass:123.02327524
Monoisotopic Mass:123.02327524
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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