1-Lauryl-2-pyrrolidone

The CAS registry number of 2-Pyrrolidinone,1-dodecyl- is 2687-96-9. Its EINECS registry number is 403-730-1. In addition, the molecular formula is C₁₆H₃₁NO and the molecular weight is 253.42. The IUPAC name is 1-dodecylpyrrolidin-2-one. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 5.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.45; (4)ACD/LogD (pH 7.4): 5.45; (5)ACD/BCF (pH 5.5): 8119.95; (6)ACD/BCF (pH 7.4): 8119.96; (7)ACD/KOC (pH 5.5): 21880.05; (8)ACD/KOC (pH 7.4): 21880.07; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.469; (13)Molar Refractivity: 77.79 cm³; (14)Molar Volume: 278.9 cm³; (15)Polarizability: 30.84 ×10^-24cm³; (16)Surface Tension: 33.8 dyne/cm; (17)Density: 0.908 g/cm³; (18)Flash Point: 152.8 °C; (19)Enthalpy of Vaporization: 59.79 kJ/mol; (20)Boiling Point: 353 °C at 760 mmHg; (21)Vapour Pressure: 3.7E-05 mmHg at 25°C.

Preparation of 2-Pyrrolidinone,1-dodecyl-: it can be prepared by 1-bromo-dodecane and 1-bromo-decane. This reaction will need reagent potassium tert-butoxide and solvent dimethylsulfoxide. The yield is about 91%.

Uses of 2-Pyrrolidinone,1-dodecyl-: it can be used to get 1-dodecyl-pyrrolidine. This reaction will need reagent 9-borabicyclo<3.3.1>nonane and solvent tetrahydrofuran. The reaction time is 1 hour at reaction temperature of 65 °C. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. And it may cause sensitization by skin contact. Moreover, it is very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). What's more, this material and/or its container must be disposed of as hazardous waste. You avoid release to the environment and you can refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(CCCCCCCCCCCC)CCC1
(2)Std.InChI: InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2-15H2,1H3
(3)Std.InChIKey: NJPQAIBZIHNJDO-UHFFFAOYSA-N

The toxicity data is as follows: