ChemicalBook--->CAS DataBase List--->152922-71-9

152922-71-9

152922-71-9 Structure

152922-71-9 Structure
IdentificationMore
[Name]

1-(Hydroxymethyl)cyclopropaneacetonitrile
[CAS]

152922-71-9
[Synonyms]

[1-(HYDROXYMETHYL)CYCLOPROPYL]ACETONITRILE
2-[1-(HYDROXYMETHYL)-CYCLOPROPYL]-ACETONITRILE
Montelukast Intermediates
1-Hydroxymethyl Cyclopropyl Acetonitrile (Montelukast Intermediates)
[1-(Hydroxymethyl)cyclopropyl]acetonitrile 97%
1-(Hydroxymethyl)cyclopropaneacetonitrile
1,1-cyclopropane dimethanol cylic sufite
[EINECS(EC#)]

604-877-6
[Molecular Formula]

C6H9NO
[MDL Number]

MFCD08235273
[Molecular Weight]

111.14
[MOL File]

152922-71-9.mol
Questions And AnswerBack Directory
[Synthesis]

Using pentaerythritol as a raw material, tribromoneopentol was obtained through bromination, followed by acetylation to give 3-bromo-2,2-bis(bromomethyl)propyl acetate. The intermediate product underwent reduction with zinc powder in a catalyst and organic solvent, followed by substitution and hydrolysis in cyanide solution and organic solvent to produce 1-(Hydroxymethyl)cyclopropaneacetonitrile. The raw materials used are simple and readily available, and the process is straightforward, suitable for large-scale industrial production.

Synthetic Route of 1-(Hydroxymethyl)cyclopropaneacetonitrile

Chemical PropertiesBack Directory
[Boiling point ]

245.1±13.0 °C(Predicted)
[density ]

1.098±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform, Methanol (Slightly)
[form ]

Oil
[pka]

15.10±0.10(Predicted)
[color ]

Dark Yellow to Dark Orange
[InChI]

InChI=1S/C6H9NO/c7-4-3-6(5-8)1-2-6/h8H,1-3,5H2
[InChIKey]

WYOMLUMUVAPMKE-UHFFFAOYSA-N
[SMILES]

C1(CO)(CC#N)CC1
[CAS DataBase Reference]

152922-71-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

22
[HS Code ]

2926907090
Hazard InformationBack Directory
[Uses]

1-(Hydroxymethyl)cyclopropaneacetonitrile is a reactant used in the preparation of benzothiazoles and thiazoles substituted benzyl alcohols as potent LTD4 antagonists.
Spectrum DetailBack Directory
[Spectrum Detail]

1-(Hydroxymethyl)cyclopropaneacetonitrile(152922-71-9)1HNMR
1-(Hydroxymethyl)cyclopropaneacetonitrile(152922-71-9)FT-IR
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