Welcome to LookChem.com Sign In|Join Free

CAS

  • or

2687-94-7

Post Buying Request

2687-94-7 Suppliers

Recommended suppliersmore

  • Product
  • FOB Price
  • Min.Order
  • Supply Ability
  • Supplier
  • Contact Supplier

2687-94-7 Usage

Synthesis

N-Octyl pyrrolidone was synthesized by 2-pyrrolidone and tetrabutylammonium bromide stirred with adding n-octane chloride for 10 h at 90 °C.

Chemical Properties

Colorless or slightly yellow clear liquid

Uses

N-Octyl pyrrolidone(NOP) is a highly efficient and selective solvent, which can be used in the recovery of organic raw materials, the refining of lubricating oils, and the solvent for polymers and polymerization reactions; It is also widely used in chemical synthesis reactions.

Synthesis Reference(s)

Different sources of media describe the Synthesis Reference(s) of 2687-94-7 differently. You can refer to the following data:
1. The Journal of Organic Chemistry, 57, p. 3328, 1992 DOI: 10.1021/jo00038a019
2. The Journal of Organic Chemistry, 59, p. 6378, 1994 DOI: 10.1021/jo00100a046

General Description

1-Octyl-2-pyrrolidone is a permeation enhancer and its effect in transport of steroidal permeants across hairless mouse skin was investigated via a parallel pathway skin model.

Flammability and Explosibility

Nonflammable

Safety Profile

Moderately toxic by ingestion. Asevere skin and eye irritant. A corrosive. Combustibleliquid. When heated to decomposition it emits toxic fumesof NOx.

Check Digit Verification of cas no

The CAS Registry Mumber 2687-94-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,6,8 and 7 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 2687-94:
(6*2)+(5*6)+(4*8)+(3*7)+(2*9)+(1*4)=117
117 % 10 = 7
So 2687-94-7 is a valid CAS Registry Number.
InChI:InChI=1/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3

2687-94-7 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Aldrich

  • (332186)  1-Octyl-2-pyrrolidone  98%

  • 2687-94-7

  • 332186-250ML

  • 760.50CNY

  • Detail
  • Aldrich

  • (332186)  1-Octyl-2-pyrrolidone  98%

  • 2687-94-7

  • 332186-1L

  • 2,322.45CNY

  • Detail

2687-94-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-octylpyrrolidin-2-one

1.2 Other means of identification

Product number -
Other names N-n-Octylpyrrolidone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2687-94-7 SDS

2687-94-7Synthetic route

2-pyrrolidinon
616-45-5

2-pyrrolidinon

Octanal
124-13-0

Octanal

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

1-n-octyl-2-pyrrolidinone

Conditions
ConditionsYield
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%
2-pyrrolidinon
616-45-5

2-pyrrolidinon

1-bromo-octane
111-83-1

1-bromo-octane

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

1-n-octyl-2-pyrrolidinone

Conditions
ConditionsYield
With potassium tert-butylate In dimethyl sulfoxide85%
With NaH In toluene; Petroleum ether
2-pyrrolidinon
616-45-5

2-pyrrolidinon

1-Chlorooctane
111-85-3

1-Chlorooctane

tert-butyl methyl ether
1634-04-4

tert-butyl methyl ether

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

1-n-octyl-2-pyrrolidinone

Conditions
ConditionsYield
With sodium hydroxide; tetrabutylammomium bromide
n-dodecanoyl chloride
112-16-3

n-dodecanoyl chloride

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

1-n-octyl-2-pyrrolidinone

lauroyloxybenzenesulfonate sodium
169283-93-6

lauroyloxybenzenesulfonate sodium

Conditions
ConditionsYield
98%
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

1-octylpyrrolidine hydrochloride

1-octylpyrrolidine hydrochloride

Conditions
ConditionsYield
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%
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

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

(+)-2-methyl octanoic acid chloride

2-methyloctanoyloxybenzenesulfonate sodium

2-methyloctanoyloxybenzenesulfonate sodium

Conditions
ConditionsYield
95.6%
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

HRS-1-97
7335-08-2

HRS-1-97

Conditions
ConditionsYield
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%
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

N-octyl-γ-thiolactam
58973-23-2

N-octyl-γ-thiolactam

Conditions
ConditionsYield
With sulfur; dmap; trichlorosilane In toluene at 115℃; for 6h;87%
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

toluene-4-sulfonamide
70-55-3

toluene-4-sulfonamide

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

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

Conditions
ConditionsYield
With diazoacetic acid ethyl ester; zinc trifluoromethanesulfonate In cyclohexane for 12h; Reflux; stereoselective reaction;76%
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

diethyl chlorophosphate
814-49-3

diethyl chlorophosphate

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

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

Conditions
ConditionsYield
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%
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

nitromethane
75-52-5

nitromethane

2-[1-Nitro-meth-(E)-ylidene]-1-octyl-pyrrolidine
139095-96-8

2-[1-Nitro-meth-(E)-ylidene]-1-octyl-pyrrolidine

Conditions
ConditionsYield
With sodium methylate; dimethyl sulfate
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

diethyl chlorophosphate
814-49-3

diethyl chlorophosphate

A

phosphoric acid diethyl ester 1-octyl-4,5-dihydro-1H-pyrrol-2-yl ester

phosphoric acid diethyl ester 1-octyl-4,5-dihydro-1H-pyrrol-2-yl ester

B

C16H31NO4P(1-)

C16H31NO4P(1-)

Conditions
ConditionsYield
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; Further stages.;
diethyl phosphorylchloridite
589-57-1

diethyl phosphorylchloridite

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

1-n-octyl-2-pyrrolidinone

C20H41NO5P2

C20H41NO5P2

Conditions
ConditionsYield
Stage #1: 1-n-octyl-2-pyrrolidinone With lithium diisopropyl amide In diethyl ether; hexane at -78℃; for 1h;
Stage #2: diethyl phosphorylchloridite In N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; hexane at -78 - 0℃; for 2h;
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

[3-(diethoxy-phosphoryl)-1-octyl-2-oxo-pyrrolidin-3-yl]-phosphonic acid diethyl ester

[3-(diethoxy-phosphoryl)-1-octyl-2-oxo-pyrrolidin-3-yl]-phosphonic acid diethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: LDA / diethyl ether; hexane / 1 h / -78 °C
1.2: diethyl ether; hexane; hexamethylphosphoric acid triamide / 2 h / -78 - 0 °C
2.1: 30 percent H2O2 / diethyl ether; hexane; hexamethylphosphoric acid triamide / 0.17 h / 0 °C
View Scheme
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

C-(1-Octyl-pyrrolidin-2-yl)-methylamine
139095-97-9

C-(1-Octyl-pyrrolidin-2-yl)-methylamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dimethyl sulfate, NaOMe
2: H2 / Raney Ni
View Scheme
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

(S)-(1-noctylpyrrolidin-2-yl)methanamine
139165-80-3

(S)-(1-noctylpyrrolidin-2-yl)methanamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: dimethyl sulfate, NaOMe
2: H2 / Raney Ni
View Scheme
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

C-((R)-1-Octyl-pyrrolidin-2-yl)-methylamine
139165-79-0

C-((R)-1-Octyl-pyrrolidin-2-yl)-methylamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: dimethyl sulfate, NaOMe
2: H2 / Raney Ni
View Scheme
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

2-Methoxy-N-((S)-1-octyl-pyrrolidin-2-ylmethyl)-5-sulfamoyl-benzamide
139095-53-7

2-Methoxy-N-((S)-1-octyl-pyrrolidin-2-ylmethyl)-5-sulfamoyl-benzamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: dimethyl sulfate, NaOMe
2: H2 / Raney Ni
4: dimethylformamide; tetrahydrofuran / 2 h / -10 - 20 °C
View Scheme
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

2-Methoxy-N-((R)-1-octyl-pyrrolidin-2-ylmethyl)-5-sulfamoyl-benzamide
139095-52-6

2-Methoxy-N-((R)-1-octyl-pyrrolidin-2-ylmethyl)-5-sulfamoyl-benzamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: dimethyl sulfate, NaOMe
2: H2 / Raney Ni
4: dimethylformamide; tetrahydrofuran / 2 h / -10 - 20 °C
View Scheme
Nonanoyl chloride
764-85-2

Nonanoyl chloride

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

1-n-octyl-2-pyrrolidinone

nonanoyloxybenzenesulfonate sodium
181213-09-2

nonanoyloxybenzenesulfonate sodium

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

1-n-octyl-2-pyrrolidinone

A

2-pyrrolidinon
616-45-5

2-pyrrolidinon

B

1-bromo-octane
111-83-1

1-bromo-octane

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

1-n-octyl-2-pyrrolidinone

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

C12H23NO*C6H5ClO3S

C12H23NO*C6H5ClO3S

Conditions
ConditionsYield
at 20℃;
1-n-octyl-2-pyrrolidinone
2687-94-7

1-n-octyl-2-pyrrolidinone

acetic acid
64-19-7

acetic acid

1-octyl-2-pyrrolidone acetate

1-octyl-2-pyrrolidone acetate

Conditions
ConditionsYield
at 20℃;

2687-94-7Relevant articles and documents

Extension of the Eschweiler-Clarke procedure to the N-alkylation of amides

Fache, Fabienne,Jacquot, Laurent,Lemaire, Marc

, p. 3313 - 3314 (1994)

The selective N-alkylation of amides (cyclic or acyclic) under hydrogen is reported using aldehydes or ketones as alkylating agents and Pd/C/Na2SO4 as catalyst. Good isolated yields are obtained (81% to 98%).

Process for the preparation of N-substituted lactams

-

, (2008/06/13)

The invention relates to a process for the preparation of N-substituted lactams by reaction of a lactam, which is unsubstituted on the nitrogen, with an organic halide in the presence of at least one solid-liquid phase transfer catalyst, such as a quaternary ammonium salt, and of at least one solid inorganic base, such as an alkali metal hydroxide, and in the absence of solvent. By this process, N-substituted lactams are obtained with good yields and high purity. The absence of solvent makes possible a considerable gain in productivity and an improvement in safety and in regard for the environment.

N-allyl-lactams as crystallization inhibitors

-

, (2008/06/13)

Crystallization of active material in spraying of an aqueous solution of certain specified fungicides is retarded by incorporation therein of an N-alkyl-lactam of the formula STR1 in which R represents alkyl having 6 to 18 carbon atoms and n represents the numbers 3, 4 or 5.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 2687-94-7