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1-Formylpyrrolidine

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Name

1-Formylpyrrolidine

EINECS 223-175-7
CAS No. 3760-54-1 Density 1.147 g/cm3
PSA 20.31000 LogP 0.81240
Solubility N/A Melting Point N/A
Formula C5H9NO Boiling Point 204.4 °C at 760 mmHg
Molecular Weight 99.1326 Flash Point 95 °C
Transport Information N/A Appearance clear slightly yellow liquid
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 3760-54-1 (1-Formylpyrrolidine) Hazard Symbols N/A
Synonyms

1-Formylpyrrolidine;N-Formylpyrrolidine;NSC 42516;

Article Data 115

1-Formylpyrrolidine Specification

The 1-Formylpyrrolidine is an organic compound with the formula C5H9NO. The IUPAC name of this chemical is pyrrolidine-1-carbaldehyde. With the CAS registry number 3760-54-1, it is also named as Prolinal. It is clear slightly yellow liquid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.32; (4)ACD/LogD (pH 7.4): -0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.96; (8)ACD/KOC (pH 7.4): 15.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 28.62 cm3; (15)Molar Volume: 86.3 cm3; (16)Polarizability: 11.34×10-24 cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Enthalpy of Vaporization: 44.07 kJ/mol; (19)Vapour Pressure: 0.264 mmHg at 25°C; (20)Exact Mass: 99.068414; (21)MonoIsotopic Mass: 99.068414; (22)Topological Polar Surface Area: 20.3; (23)Heavy Atom Count: 7; (24)Complexity: 66.5.

Preparation of 1-Formylpyrrolidine: It can be obtained by pyrrolidine and trichloromethane. This reaction needs reagent 50percent aq. NaOH and catalytic agent BuN(1+)*F(1-) at temperature of 50 °C. The reaction time is 70 min. The yield is 73%.

1-Formylpyrrolidine can be obtained by pyrrolidine and trichloromethane

Uses of 1-Formylpyrrolidine: It can react with 9-benzyl-1,2,3,4-tetrahydro-carbazole to get 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carbaldehyde. This reaction needs reagent POCl3 at temperature of 0 °C. The yield is 81%.

1-Formylpyrrolidine can react with 9-benzyl-1,2,3,4-tetrahydro-carbazole to get 9-benzyl-1,2,3,4-tetrahydrocarbazole-1-carbaldehyde

People can use the following data to convert to the molecule structure.
1. SMILES:O=CN1CCCC1
2. InChI:InChI=1/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2
3. InChIKey:AGRIQBHIKABLPJ-UHFFFAOYAI

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