Neopentyllithium

Base Information

• Chemical Name: Neopentyllithium
• CAS No.: 7412-67-1
• Molecular Formula: C5H11Li
• Molecular Weight: 78.0833
• European Community (EC) Number: 686-962-8
• UNII: Y3X266EZG5
• DSSTox Substance ID: DTXSID80447510
• Wikipedia: Neopentyllithium
• Wikidata: Q15425789
• Mol file: 7412-67-1.mol

Synonyms:NEOPENTYLLITHIUM;7412-67-1;Lithium, neopentyl-;(2,2-Dimethylpropyl)lithium;2,2-Dimethylpropyllithium;Y3X266EZG5;Lithium, (2,2-dimethylpropyl)-;lithium;2-methanidyl-2-methylpropane;UNII-Y3X266EZG5;DTXSID80447510;UWLFCNHEPBTLHT-UHFFFAOYSA-N;AKOS006282975;FT-0693728;Q15425789

Chemical Property of Neopentyllithium

Chemical Property:

• Melting Point: 130 °C (sublm)(Press: 0.00001 Torr)
• Flash Point: -30 °C
• PSA: 0.00000
• LogP: 1.97910
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 78.10207879
• Heavy Atom Count: 6
• Complexity: 25.4

Purity/Quality:

99%, ^*data from raw suppliers

NEOPENTYLLITHIUM 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-14/15-17-34-48/20-50/53-63-65-67
• Safety Statements: 26-36/37/39-43-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].CC(C)(C)[CH2-]

Technology Process of Neopentyllithium

There total 3 articles about Neopentyllithium 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:

neopentyl chloride (753-89-9) → neopentyl lithium (7412-67-1)

Guidance literature:

With lithium; In hexane;

DOI:10.1021/ja00479a019

Reference yield:

neopentyl iodide (15501-33-4) → neopentyl lithium (7412-67-1)

Guidance literature:

With tert.-butyl lithium; In diethyl ether; pentane; -78 deg C, 0.5-1h, warmed to 23 deg C in 0.5-1h;

DOI:10.1021/jo00306a022

Reference yield:

→ neopentyl lithium (7412-67-1)

Guidance literature:

aus Neopentylchlorid + Li;

DOI:10.1021/jo00831a113

upstream raw materials:

neopentyl chloride

neopentyl iodide

Downstream raw materials:

(1s,5s)-9-neopentyl-9-bora-bicyclo[3.3.1]nonane

2,2,4,4-tetramethyl-3-neopentylpentan-3-ol

dineopentyl-tert-butylcarbinol

trineopentylcarbinol

Refernces

• 1、 Negishi, Ei-ichi,Swanson, Douglas R.,Rousset, Christophe J.. "Clean and Convenient Procedure for Converting Primary Alkyl Iodides and α,ω-Diiodoalkanes into the Corresponding Alkyllithium Derivatives by Treatment with tert-Butyllithium". . p. 5406 - 5409. Retrieved 2007/10/02.