5-Chloropentanal
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5-Chloropentanal
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CAS No:
20074-80-0
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Formula:
C5H9ClO
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Chemical Name:
5-Chloropentanal
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Synonyms:
Pentanal,5-chloro-;Valeraldehyde,5-chloro-;5-Chloropentanal;5-Chlorovaleraldehyde
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CAS No:
5-Chloropentanal Use and Manufacturing
Synthesis of 5-chloropentanaIO O *~Methyl 5-chloropentanoate 5-chloropentanalReaction:Material Amount mmol Mw equivA Methyl-5-Cl-pentanoate 3.5 mL 23.6 150.61 1B DIBALH 1 mol/L in 3O mL 30 (142.22) 1.27 toluene c toluene 13O mLProcedure:[0593] A solution of Methyl 5-chloropentanoate in toluene (130 mL) was cooled to -78 °C then DIBALH ( 30 mL, 30 mrnol) was added dropwise within 1 h. After three hours of additional stirring at -78°C the reaction was quenched by dropwise addition of 6 N hydrochloric acid (50 mL). The mixture was allowed to warm to rt. The layers were separated and then organic layer was washed with water (2 x), dried (Na2SC>4) and partially evaporated. The 5-chloropentanal was isolated as a clear colorless liquid (49percent by NMR) in toluene. The product solution was stored under argon at 4°C and used in the next step without further purification.
Computed Properties
Molecular Weight:120.58
XLogP3:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:120.0341926
Monoisotopic Mass:120.0341926
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:45.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
