3,3-Dimethylpyrrolidine

Base Information

• Chemical Name: 3,3-Dimethylpyrrolidine
• CAS No.: 3437-30-7
• Molecular Formula: C6H13N
• Molecular Weight: 99.1759
• Hs Code.: 2933990090
• European Community (EC) Number: 805-091-8
• DSSTox Substance ID: DTXSID40565921
• Nikkaji Number: J2.762.535E
• Mol file: 3437-30-7.mol

Synonyms:3,3-DIMETHYLPYRROLIDINE;3437-30-7;3,3-Dimethyl-pyrrolidine;MFCD09864370;PYRROLIDINE, 3,3-DIMETHYL-;Pyrrolidine, 3,3-dimethyl;DTXSID40565921;3,3-dimethylpyrrolidine, AldrichCPR;AKOS005174161;PB14755;AM20090533;EN300-93938;A849557;J-511091;F2148-0037

Chemical Property of 3,3-Dimethylpyrrolidine

Chemical Property:

• Vapor Pressure: 27.109mmHg at 25°C
• Refractive Index: 1.419
• Boiling Point: 107.406 °C at 760 mmHg
• PKA: 10.57±0.10(Predicted)
• Flash Point: 5.478 °C
• PSA: 12.03000
• Density: 0.805 g/cm³
• LogP: 1.33470
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 99.104799419
• Heavy Atom Count: 7
• Complexity: 66.6

Purity/Quality:

98%min ^*data from raw suppliers

3,3-dimethylpyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCNC1)C
• Uses: 3,3-Dimethylpyrrolidine can be used as kras inhibitors to inhibit human pancreatic adenocarcinoma cells.

Technology Process of 3,3-Dimethylpyrrolidine

There total 8 articles about 3,3-Dimethylpyrrolidine 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:

3,3-dimethylpyrrolidine-2,5-dione (3437-29-4) → 3,3-dimethylpyrrolidine (3437-30-7)

Guidance literature:

With tetrahydrofuran; lithium aluminium tetrahydride;

DOI:10.1021/ja01610a002

Reference yield:

2,2-dimethylsuccinic anhydride (17347-61-4) → 3,3-dimethylpyrrolidine (3437-30-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether; liquid ammonia / und Erhitzen des Reaktionsprodukts in Xylol

2: lithium alanate; tetrahydrofuran

With tetrahydrofuran; lithium aluminium tetrahydride; diethyl ether; ammonia;

DOI:10.1021/ja01610a002

Reference yield:

4-bromo-2,2-dimethyl-butylamin; hydrobromide → 3,3-dimethylpyrrolidine (3437-30-7)

Guidance literature:

Erhitzen auf Temperaturen oberhalb des Schmelzpunkts_.;

DOI:10.1021/ja01610a002

upstream raw materials:

3,3-dimethylpyrrolidine-2,5-dione

3,3-dimethyltetrahydrofuran

2,2-dimethylsuccinic anhydride

2,2-dimethylbutane-1,4-diol

Downstream raw materials:

C₁₂H₁₆ClN

C₁₂H₁₆ClN

C₁₂H₁₆ClN

C₁₂H₁₅Cl₂N

Refernces

• 1、 Kazeminejad, Neda,Münzfeld, Luca,Gamer, Michael T.,Roesky, Peter W.. "Mono- and bimetallic amidinate samarium complexes-synthesis, structure, and hydroamination catalysis". supporting information. p. 8153 - 8160. Retrieved 2019/06/18.