2-Methylpyrrolidine

Base Information

• Chemical Name: 2-Methylpyrrolidine
• CAS No.: 765-38-8
• Deprecated CAS: 79171-53-2
• Molecular Formula: C5H11N
• Molecular Weight: 85.149
• Hs Code.: 29339900
• European Community (EC) Number: 212-144-3
• DSSTox Substance ID: DTXSID70883347
• Nikkaji Number: J193.131H
• Mol file: 765-38-8.mol

Synonyms:2-methylpyrrolidine

Chemical Property of 2-Methylpyrrolidine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 4.03mmHg at 25°C
• Melting Point: -96.37°C (estimate)
• Refractive Index: n20/D 1.437(lit.)
• Boiling Point: 100.165 °C at 760 mmHg
• PKA: 10.93±0.10(Predicted)
• Flash Point: 0.527 °C
• PSA: 12.03000
• Density: 0.813 g/cm³
• LogP: 1.08710
• Storage Temp.: Flammables area
• Water Solubility.: soluble
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 85.089149355
• Heavy Atom Count: 6
• Complexity: 43.2

Purity/Quality:

99% ^*data from raw suppliers

2-Methylpyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-34-22
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CCCN1
• Uses: 2-Methylpyrrolidine can be used to produce?2-(2-methylpyrrolidinyl)benzaldehyde?at the temperature of?152°C. It is commonly used as organic reagent.

Technology Process of 2-Methylpyrrolidine

There total 88 articles about 2-Methylpyrrolidine 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: 92.0%

(R)-1-((S)-2-methyl-propane-2-sulfinyl)-2-methyl-pyrrolidine (1218989-50-4) → (R)-(-)-2-methylpyrrolidine (765-38-8,41720-98-3,59335-84-1,79171-53-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/jo902710s

Reference yield:

(S,S)-1,2-bis<2-(methoxymethyl)pyrrolidino>diazene → ethyleneimine (151-56-4,9002-98-6) + 2,3-dihydro-5-methylpyrrol (100791-95-5) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-methyl-1-pyrrolidine (765-38-8) + prop-1-yne (74-99-7)

Guidance literature:

at 1100 ℃; under 0.08 - 0.4 Torr; Product distribution; other temperatures; also flash-vacuum pyrolysis;

Reference yield:

(R)-2-methylpyrrolidine hydrobromide (117607-13-3) → (R)-(-)-2-methylpyrrolidine (765-38-8,41720-98-3,59335-84-1,79171-53-2)

Guidance literature:

With sodium hydroxide; In water;

upstream raw materials:

2-Methylpyrroline

5-methylpyrrolidin-2-one

4-pentenyl-1-amine

(2R)-2-[(2'R)-2'-methyl-N-pyrrolidinyl]-2-phenyl-1-ethanol

Downstream raw materials:

1-(2-methyl-pyrrolidino)-3-p-tolyloxy-propan-2-ol

1-benzyl-2-methylpyrrolidine

2-methyl-1H-pyrroline

2-methyl-1H-pyrrole

Refernces

• 1、 Büchsenschütz, Hanna C.,Vidimce-Risteski, Viktorija,Eggbauer, Bettina,Schmidt, Sandy,Winkler, Christoph K.,Schrittwieser, Joerg H.,Kroutil, Wolfgang,Kourist, Robert. "Stereoselective Biotransformations of Cyclic Imines in Recombinant Cells of Synechocystis sp. PCC 6803". . p. 726 - 730. Retrieved 2019/12/27.
• 2、 Ahmed, Syed T.,Cosgrove, Sebastian C.,Parmeggiani, Fabio,Thompson, Matthew P.,Turner, Nicholas J.. "One-Pot Synthesis of Chiral N-Arylamines by Combining Biocatalytic Aminations with Buchwald–Hartwig N-Arylation". supporting information. p. 18156 - 18160. Retrieved 2020/08/13.