Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Lauryl-2-pyrrolidone |
EINECS | 403-730-1 |
CAS No. | 2687-96-9 | Density | 0.908 g/cm3 |
PSA | 20.31000 | LogP | 4.46760 |
Solubility | 51.7mg/L at 20℃ | Melting Point |
4°C |
Formula | C16H31NO | Boiling Point | 353 °C at 760 mmHg |
Molecular Weight | 253.428 | Flash Point | 152.8 °C |
Transport Information | UN 3267 8/PG 3 | Appearance | N/A |
Safety | 26-36/37/39-45-60-61 | Risk Codes | 34-43-50/53 |
Molecular Structure | Hazard Symbols | C; N | |
Synonyms |
1-Dodecyl-2-pyrrolidinone;1-Dodecylpyrrolidone;AgsolEx12;Laurylpyrrolidone;N-Dodecyl-2-pyrrolidinone;N-Dodecylpyrrolidone;N-Lauryl-2-pyrrolidinone;Surfadone LP 300; |
Article Data | 13 |
Conditions | Yield |
---|---|
With potassium tert-butylate In dimethyl sulfoxide | 91% |
Conditions | Yield |
---|---|
With tetrabutylammomium bromide In cyclohexane; water; ethyl acetate; toluene | 80% |
Conditions | Yield |
---|---|
at 250℃; | |
at 250 - 270℃; |
Conditions | Yield |
---|---|
With sodium In ethanol for 6h; Heating; |
Conditions | Yield |
---|---|
40.7 g (80.3%) |
Conditions | Yield |
---|---|
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran at 65℃; for 1h; | 97% |
With lithium dimethylamino borohydride In tetrahydrofuran at 65℃; for 2h; | 96% |
Conditions | Yield |
---|---|
With sodium methylate; dimethyl sulfate |
Conditions | Yield |
---|---|
In acetonitrile for 6h; Heating; |
1-dodecyl-2-pyrrolidinone
C-(1-Dodecyl-pyrrolidin-2-yl)-methylamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dimethyl sulfate, NaOMe 2: H2 / Raney Ni View Scheme |
1-dodecyl-2-pyrrolidinone
C-((S)-1-Dodecyl-pyrrolidin-2-yl)-methylamine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: dimethyl sulfate, NaOMe 2: H2 / Raney Ni View Scheme |
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:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 1gm/kg (1000mg/kg) | Chemical and Pharmaceutical Bulletin. Vol. 38, Pg. 2308, 1990. | |
rat | LDLo | oral | 5gm/kg (5000mg/kg) | GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Food and Chemical Toxicology. Vol. 26, Pg. 475, 1988. |