1-Dodecyl-2-pyrrolidinone

Base Information

• Chemical Name: 1-Dodecyl-2-pyrrolidinone
• CAS No.: 2687-96-9
• Deprecated CAS: 1202470-88-9
• Molecular Formula: C16H31NO
• Molecular Weight: 253.428
• Hs Code.: 2933790090
• European Community (EC) Number: 403-730-1,682-760-9
• UNII: 3P14VW8FNY
• DSSTox Substance ID: DTXSID4042206
• Nikkaji Number: J46.018D
• Wikidata: Q27257840
• ChEMBL ID: CHEMBL3186490
• Mol file: 2687-96-9.mol

Synonyms:1-dodecyl-2-pyrrolidinone;1-lauryl-2-pyrrolidone

Chemical Property of 1-Dodecyl-2-pyrrolidinone

Chemical Property:

• Vapor Pressure: 3.7E-05mmHg at 25°C
• Melting Point: 4°C
• Refractive Index: n20/D 1.466(lit.)
• Boiling Point: 353 °C at 760 mmHg
• PKA: -0.43±0.20(Predicted)
• Flash Point: 152.8 °C
• PSA: 20.31000
• Density: 0.908 g/cm³
• LogP: 4.46760
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 51.7mg/L at 20℃
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 253.240564612
• Heavy Atom Count: 18
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

1-Dodecyl-2-pyrrolidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C; N
• Hazard Codes: C,N
• Statements: 34-43-50/53
• Safety Statements: 26-36/37/39-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCN1CCCC1=O
• Uses: 1-Dodecyl-2-pyrrolidinone was used in the preparation of few-layered flakes of molybdenum disulfide (MoS2) via liquid phase exfoliation of bulk MoS2 powder.

Technology Process of 1-Dodecyl-2-pyrrolidinone

There total 6 articles about 1-Dodecyl-2-pyrrolidinone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

1-bromo dodecane (112-29-8) + 1-dodecylbromide (143-15-7) → 1-dodecyl-2-pyrrolidinone (2687-96-9)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide;

DOI:10.1002/jps.2600721131

Reference yield: 80.0%

2-pyrrolidinon (616-45-5) + 1-dodecylbromide (143-15-7) → 1-dodecyl-2-pyrrolidinone (2687-96-9)

Guidance literature:

With tetrabutylammomium bromide; In cyclohexane; water; ethyl acetate; toluene;

Reference yield:

4-butanolide (96-48-0) + n-Dodecylamine (124-22-1) → 1-dodecyl-2-pyrrolidinone (2687-96-9)

Guidance literature:

at 250 ℃;

DOI:10.1021/ja01195a518

upstream raw materials:

4-butanolide

n-Dodecylamine

1-bromo dodecane

1-dodecylbromide

Downstream raw materials:

N-[2,6-bis(1-methylethyl)phenyl]-1-dodecyl-2-oxo-3-pyrrolidine carboxamide

N-((R)-1-Dodecyl-pyrrolidin-2-ylmethyl)-2-methoxy-5-sulfamoyl-benzamide

N-((S)-1-Dodecyl-pyrrolidin-2-ylmethyl)-2-methoxy-5-sulfamoyl-benzamide

Refernces

• 1、 Demberelnyamba,Kim, Ki-Sub,Choi, Sukjeong,Park, Seung-Yeob,Lee, Huen,Kim, Chang-Jin,Yoo, Ick-Dong. "Synthesis and antimicrobial properties of imidazolium and pyrrolidinonium salts". . p. 853 - 857. Retrieved 2007/10/03.
• 2、 -. "N-alkyl-lactams as crystallization inhibitors". . . Retrieved 2008/06/13.