CAS No.2687-96-9,1-Lauryl-2-pyrrolidone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2687-96-9
Name:	1-Lauryl-2-pyrrolidone
Article Data:	13

Formula:	C₁₆H₃₁NO
Molecular Weight:	253.428
Synonyms:	1-Dodecyl-2-pyrrolidinone;1-Dodecylpyrrolidone;AgsolEx12;Laurylpyrrolidone;N-Dodecyl-2-pyrrolidinone;N-Dodecylpyrrolidone;N-Lauryl-2-pyrrolidinone;Surfadone LP 300;
EINECS:	403-730-1
Density:	0.908 g/cm³
Melting Point:	4°C
Boiling Point:	353 °C at 760 mmHg
Flash Point:	152.8 °C
Solubility:	51.7mg/L at 20℃
Hazard Symbols:	C; N
Risk Codes:	34-43-50/53
Safety:	26-36/37/39-45-60-61
Transport Information:	UN 3267 8/PG 3
PSA:	20.31000
LogP:	4.46760

Synthetic route

: 112-29-8
1-bromo dodecane

: 143-15-7
1-dodecylbromide

: 2687-96-9
1-dodecyl-2-pyrrolidinone

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide	91%

: 616-45-5
2-pyrrolidinon

: 143-15-7
1-dodecylbromide

: 2687-96-9
1-dodecyl-2-pyrrolidinone

Conditions

Conditions	Yield
With tetrabutylammomium bromide In cyclohexane; water; ethyl acetate; toluene	80%

: 96-48-0
4-butanolide

: 124-22-1
n-Dodecylamine

: 2687-96-9
1-dodecyl-2-pyrrolidinone

Conditions

Conditions	Yield
at 250℃;
at 250 - 270℃;

: 616-45-5
2-pyrrolidinon

: 112-52-7
1-chlorododecane

: 2687-96-9
1-dodecyl-2-pyrrolidinone

Conditions

Conditions	Yield
With sodium In ethanol for 6h; Heating;

: 124-22-1
n-Dodecylamine

: 2687-96-9
1-dodecyl-2-pyrrolidinone

Conditions

Conditions	Yield
	40.7 g (80.3%)

: 2687-96-9
1-dodecyl-2-pyrrolidinone

: 2915-94-8
1-dodecyl-pyrrolidine

Conditions

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%

: 2687-96-9
1-dodecyl-2-pyrrolidinone

: 75-52-5
nitromethane

: 1-Dodecyl-2-[1-nitro-meth-(E)-ylidene]-pyrrolidine

Conditions

Conditions	Yield
With sodium methylate; dimethyl sulfate

: 2687-96-9
1-dodecyl-2-pyrrolidinone

: 107-07-3
2-chloro-ethanol

: 1-dodecyl-1-(2-hydroxy-ethyl)-2-oxo-pyrrolidinium; chloride

Conditions

Conditions	Yield
In acetonitrile for 6h; Heating;

: 2687-96-9
1-dodecyl-2-pyrrolidinone

: 140237-06-5, 140237-07-6
C-(1-Dodecyl-pyrrolidin-2-yl)-methylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dimethyl sulfate, NaOMe 2: H2 / Raney Ni View Scheme

: 2687-96-9
1-dodecyl-2-pyrrolidinone

: 140237-06-5
C-((S)-1-Dodecyl-pyrrolidin-2-yl)-methylamine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: dimethyl sulfate, NaOMe 2: H2 / Raney Ni View Scheme

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Specification

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%.

2-Pyrrolidinone,1-dodecyl- can be prepared by 1-bromo-dodecane and 1-bromo-decane

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%.

2-Pyrrolidinone,1-dodecyl- can be used to get 1-dodecyl-pyrrolidine

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.