(2S)-2-methylpyrrolidine

Base Information

• Chemical Name: (2S)-2-methylpyrrolidine
• CAS No.: 59335-84-1
• Molecular Formula: C₅H₁₁N
• Molecular Weight: 85.149
• Hs Code.: 2933990090
• European Community (EC) Number: 625-981-8
• Nikkaji Number: J825.505I
• Mol file: 59335-84-1.mol

Synonyms:59335-84-1;(S)-2-METHYLPYRROLIDINE;(2S)-2-methylpyrrolidine;(S)-2-Methyl-pyrrolidine;(S)-(+)-2-Methylpyrrolidine;Pyrrolidine, 2-methyl-, (2S)-;MFCD07779425;(s)-2-methyl pyrrolidine;2-(S)-methylpyrrolidine;(2S)-2-methyl pyrrolidine;(2S)-2beta-Methylpyrrolidine;(S)-(-)-2-methylpyrrolidine;RGHPCLZJAFCTIK-YFKPBYRVSA-N;BBL102393;STL556195;AKOS005146101;AKOS015840230;(S)-(+)-2-Methylpyrrolidine, 95%;CS-W013753;PS-16934;A8350;AM20100445;EN300-206735;Q-102884

Chemical Property of (2S)-2-methylpyrrolidine

Chemical Property:

• Vapor Pressure: 37.1mmHg at 25°C
• Refractive Index: n20/D 1.4354
• Boiling Point: 100.2 °C at 760 mmHg
• PKA: 10.93±0.10(Predicted)
• Flash Point: 0.5 °C
• PSA: 12.03000
• Density: 0.812 g/cm³
• LogP: 1.08710
• Storage Temp.: 2-8°C
• 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

(S)-2-Methylpyrrolidine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCN1
• Isomeric SMILES: C[C@H]1CCCN1

Technology Process of (2S)-2-methylpyrrolidine

There total 44 articles about (2S)-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:

(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;

Reference yield:

2-methyl-1H-pyrroline (872-32-2) → (R)-(-)-2-methylpyrrolidine (765-38-8,41720-98-3,59335-84-1,79171-53-2)

Guidance literature:

With D-glucose; at 25 ℃; for 84h; pH=7; optical yield given as %ee; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1039/c0ob00353k

upstream raw materials:

2-methyl-1-pyrrolidine

2-Methylpyrroline

5-methylpyrrolidin-2-one

4-pentenyl-1-amine

Downstream raw materials:

4-(6-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-2-naphthyl)benzonitrile

2-(2R)-methyl-[1,3']bipyrrolidinyl dihydrochloride

2-(R)-methylpyrrolidine-1-carboxylic acid tert-butyl ester

(S)-2-methylpyrrolidine

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.