N-Cyclopropyl-3-oxetanamine Property

Boiling point:

174.6±33.0 °C(Predicted)

Density 

1.07±0.1 g/cm3(Predicted)

pka

7.23±0.20(Predicted)

InChI

InChI=1S/C6H11NO/c1-2-5(1)7-6-3-8-4-6/h5-7H,1-4H2

InChIKey

WRHIQBUDVKMWPJ-UHFFFAOYSA-N

SMILES

O1CC(NC2CC2)C1

Safety

HS Code 

2922390090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H226Flammable liquid and vapour

H314Causes severe skin burns and eye damage

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P242Use only non-sparking tools.

P243Take precautionary measures against static discharge.

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

P363Wash contaminated clothing before reuse.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

P405Store locked up.

P501Dispose of contents/container to..…

N-Cyclopropyl-3-oxetanamine Chemical Properties,Usage,Production

Synthesis

To a solution of cyclopropanamine (100 mg, 1.751 mmol) in DCE (5 mL) was added oxetan-3-one (151 mg, 2.102 mmol) and 0.05 mL of HOAc. The mixture was stirred for 2 min, and sodium triacetoxyborohydride (742 mg, 3.50 mmol) was added and stirred overnight. The mixture was diluted with water (5 mL), basified by sodium carbonate to pH 9, and extracted with ethyl ether (3 x 10 mL). The combined organic layer was washed with brine, dried over Na2SO4, and concentrated at low vacuum. For the structural determination, a small amount was reacted with benzoyl chloride in DCM and DIEA for 1 h, removed volatiles in a vacuum, and checked by LCMS, which showed major peak is the desired product N-Cyclopropyl-3-oxetanamine.