CAS No.2687-94-7,N-Octyl pyrrolidone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2687-94-7
Name:	N-Octyl pyrrolidone
Article Data:	13

Formula:	C₁₂H₂₃NO
Molecular Weight:	197.321
Synonyms:	1-Octyl-2-pyrrolidinone;1-Octyl-2-pyrrolidone;AgsolEx 8;Flexidone 100;ISP-LP 100;LP 100;N-Octyl-2-pyrrolidinone;N-Octylpyrrolidone;N-n-Octyl-2-pyrrolidone;N-n-Octyl-a-pyrrolidone;Surfadone LP 100;N-Octyl-2-pyrrolidone;N-Octylpyrrolidinone;N-Octylbutyrolactam;
EINECS:	403-700-8
Density:	0.926 g/cm³
Melting Point:	-25 °C(lit.)
Boiling Point:	303.1 °C at 760 mmHg
Flash Point:	129 °C
Solubility:	1.14-1.25g/L at 20℃
Hazard Symbols:	C, N
Risk Codes:	34-51/53
Safety:	23-26-36/37/39-45-1/2
Transport Information:	UN 3267 8/PG 2
PSA:	20.31000
LogP:	2.90720

Synthetic route

: 616-45-5
2-pyrrolidinon

: 124-13-0
Octanal

: 2687-94-7
1-n-octyl-2-pyrrolidinone

Conditions

Conditions	Yield
With hydrogen; sodium sulfate; palladium on activated charcoal In ethyl acetate at 100℃; under 30002.4 Torr; for 4h;	93%
With hydrogen; sodium sulfate; palladium on activated charcoal In ethyl acetate at 100℃; under 30002.4 Torr; for 4h;	93%

: 616-45-5
2-pyrrolidinon

: 111-83-1
1-bromo-octane

: 2687-94-7
1-n-octyl-2-pyrrolidinone

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide	85%
With NaH In toluene; Petroleum ether

: 616-45-5
2-pyrrolidinon

: 111-85-3
1-Chlorooctane

: 1634-04-4
tert-butyl methyl ether

: 2687-94-7
1-n-octyl-2-pyrrolidinone

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide

...Expand

: 112-16-3
n-dodecanoyl chloride

: 2687-94-7
1-n-octyl-2-pyrrolidinone

: 169283-93-6
lauroyloxybenzenesulfonate sodium

Conditions

Conditions	Yield
	98%

: 2687-94-7
1-n-octyl-2-pyrrolidinone

: 1-octylpyrrolidine hydrochloride

Conditions

Conditions	Yield
Stage #1: 1-n-octyl-2-pyrrolidinone With bis(cyclopentadienyl)dihydrozirconium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane at 20℃; under 760.051 Torr; for 12h; Inert atmosphere; Stage #2: With hydrogenchloride In diethyl ether Inert atmosphere;	97%

: 2687-94-7
1-n-octyl-2-pyrrolidinone

: 43152-88-1
(+)-2-methyl octanoic acid chloride

: 2-methyloctanoyloxybenzenesulfonate sodium

Conditions

Conditions	Yield
	95.6%

: 2687-94-7
1-n-octyl-2-pyrrolidinone

: 7335-08-2
HRS-1-97

Conditions

Conditions	Yield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran at 65℃; for 1h;	93%
With C25H42N6Rh(1+)*F6Sb(1-); phenylsilane In neat (no solvent) at 30℃; for 20h; Glovebox; Inert atmosphere; Sealed tube;	91%
With lithium dimethylamino borohydride In tetrahydrofuran at 65℃; for 2h;	89%
With diisobutylaluminum borohydride In tetrahydrofuran at 0 - 25℃; Inert atmosphere;	87%
With diisobutylaluminum borohydride In tetrahydrofuran at 25℃; for 1h; Inert atmosphere;	87%

: 2687-94-7
1-n-octyl-2-pyrrolidinone

: 58973-23-2
N-octyl-γ-thiolactam

Conditions

Conditions	Yield
With sulfur; dmap; trichlorosilane In toluene at 115℃; for 6h;	87%

: 2687-94-7
1-n-octyl-2-pyrrolidinone

: 70-55-3
toluene-4-sulfonamide

: (E)-4-methyl-N-(1-octylpyrrolidin-2-ylidene)benzenesulfonamide

Conditions

Conditions	Yield
With diazoacetic acid ethyl ester; zinc trifluoromethanesulfonate In cyclohexane for 12h; Reflux; stereoselective reaction;	76%

: 2687-94-7
1-n-octyl-2-pyrrolidinone

: 814-49-3
diethyl chlorophosphate

: 1-n-octyl-3-(diethoxyphosphinyl)-2-pyrrolidinone

Conditions

Conditions	Yield
Stage #1: 1-n-octyl-2-pyrrolidinone With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: diethyl chlorophosphate In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane at -78 - 20℃; for 0.5h; Stage #3: With lithium diisopropyl amide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane at -78 - 20℃; for 2h; Further stages.;	68%

Raw Materials

111-83-1

111-85-3

616-45-5

124-13-0

1634-04-4

Downstream Products

111-83-1

616-45-5

Total:139 Page 1 of 4 1 2 3 4 Next>>

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Chemistry

Molecular Formula: C₁₂H₂₃NO
Molecular Weight: 197.32
EINECS: 403-700-8
Index of Refraction: 1.468
Molar Refractivity: 59.26 cm³
Molar Volume: 212.8 cm³
Surface Tension: 33.6 dyne/cm
Density: 0.926 g/cm³
Flash Point: 129 °C
Enthalpy of Vaporization: 54.34 kJ/mol
Boiling Point: 303.1 °C at 760 mmHg
Vapour Pressure: 0.000948 mmHg at 25 °C
Melting point: -25 °C(lit.)
Structure of N-Octyl pyrrolidone (CAS NO.2687-94-7):

IUPAC Name: 1-Octylpyrrolidin-2-one
Canonical SMILES: CCCCCCCCN1CCCC1=O
InChI: InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3
InChIKey: WPPOGHDFAVQKLN-UHFFFAOYSA-N
Product Category of Poly(acrylamide-co-diallyldimethylammonium chloride) (CAS NO.26590-05-6): Heterocyclic Building Blocks;Pyrrolidines

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1290-1125,
rat	LD50	oral	2050mg/kg (2050mg/kg)	GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Food and Chemical Toxicology. Vol. 26, Pg. 475, 1988.

Safety Profile

Hazard Codes: Corrosive C, Dangerous N
Risk Statements: 34-51/53
R34:Causes burns.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 23-26-36/37/39-45-1/2
S1/2:Keep locked up and out of the reach of children.
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3267 8/PG 2
WGK Germany: 2
HazardClass: 8

Specification

N-Octyl pyrrolidone , its cas register number is 2687-94-7. It also can be called 1-Octyl-2-pyrrolidinone ; N-Octyl-2-pyrrolidone ; and N-Octylpyrrolidone .