tert-Butyllithium solution - 1.3M in Pentane , CAS No.594-19-4

CAS: 594-19-4 Cat. No.: B109777 Molecular Weight: 64.06 Beilstein Registry Number: 3587204 EC Number: 209-831-5

GRADE & PURITY 1.3M in Pentane

Synonyms

tertbutyllithium | tert-Butyllithium | t-Butyllitium | Lithium, (1,1-dimethylethyl)- | t-butyllithiurn | lithium;2-methylpropane | tBuLi | t-BuLi | t-butyllithium | t-butyl-lithium | t-butyl lithium | tert-butyllitium | t-butyllithum | Tert butyllithium

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

tert-Butyllithium solution (tert-BuLi) is an organolithium compound, used as a strong base in organic chemistry. It facilitates lithium-halogen exchange reaction and also can be employed in the deprotonation of C-H compounds and amines.
Application
tert-Butyllithium solution can be used as a strong base in the synthesis of: Alkyllithium derivatives form alkyl iodides and diiodoalkanes by halogen-lithium exchange reaction. Inorganic polymer [(LiMo3Se3)n] from [(InMo3Se3)n] by reductive intercalation method. Adducts of cinnamic acid (1,3- and 1,4-adducts) by reacting with C-C double of cinnamic acid.

Specifications

Synonyms

tertbutyllithium | tert-Butyllithium | t-Butyllitium | Lithium, (1, 1-dimethylethyl)- | t-butyllithiurn | lithium;2-methylpropane | tBuLi | t-BuLi | t-butyllithium | t-butyl-lithium | t-butyl lithium | tert-butyllitium | t-butyllithum | Tert butyllithium

Specifications & Purity

1.3M in Pentane

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: [Li+].C[C-](C)C
• IUPAC Name: lithium;2-methylpropane
• InChIKey: UBJFKNSINUCEAL-UHFFFAOYSA-N
• INCHI: 1S/C4H9.Li/c1-4(2)3;/h1-3H3;/q-1;+1
• Isomeric SMILES: [Li+].C[C-](C)C
• WGK Germany: 2
• Molecular Weight: 64.06
• Beilstein: 3587204
• Reaxy-Rn: 3587204
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3587204&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic alkali metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic lithium salts
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic lithium salt - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic lithium salts. These are organic compounds containing a lithium ion.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture, Heat and Air sensitive
• Molecular Weight: 64.099 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 64.0864 Da
• Monoisotopic Mass: 64.0864 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 8.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Ning Yan, Lei Ding, Tong Wu, Sihang Zhang, Feng Yang, Ya Cao, Ming Xiang.  (2021)  Shutdown-Functionalized Poly Ethylene-Vinyl Alcohol Sulfonate Lithium and Poly (Vinyl Alcohol) Composite Lithium-Ion Battery Separator.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  168  (11): (110510).  [PMID:] [10.1149/1945-7111/ac330c]

2. Haoyun Deng, Zhixiong Yang, Mengzhen Zhou, Encai Ou, Yanbing Lu, Qiulan Zhou, Kun Liu, Weijian Xu.  (2024)  Anionic polymerization of (Z)-1,3-pentadiene using Ba/Al/Li trimetallic initiators to synthesize crystalline high trans-1,4-polypentadiene.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127841]