Lithium tri-sec-butylborohydride solution - 1M in THF , CAS No.38721-52-7

CAS: 38721-52-7 Cat. No.: L107538 Molecular Weight: 190.10 Beilstein Registry Number: 4007327 EC Number: 254-101-1

GRADE & PURITY 1M in THF

Synonyms

EC 254-101-1 | FT-0652836 | BP-13469 | lithium tri(butan-2-yl)boron(1-) | LITHIUM HYDROTRI-S-BUTYLBORATE | LITHIUM TRI-SEC-BUTYLHYDROBORATE(1-) | L0164 | Lithium tri-sec-butylhydridoborate, 1.0M in THF | J471N7T23N | LITHIUM SELECTRIDE | AKOS009113012 | L

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Usually used as reducing agent for Diastereoselective reduction reactions,Hydride reduction of the Danishefsky pyranones,Synthesis of alkanols by carbonylation reactions.

Specifications

Synonyms

EC 254-101-1 | FT-0652836 | BP-13469 | lithium tri(butan-2-yl)boron(1-) | LITHIUM HYDROTRI-S-BUTYLBORATE | LITHIUM TRI-SEC-BUTYLHYDROBORATE(1-) | L0164 | Lithium tri-sec-butylhydridoborate, 1.0M in THF | J471N7T23N | LITHIUM SELECTRIDE | AKOS009113012 | L

Specifications & Purity

1M in THF

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Names and Identifiers

• Canonical Smiles: [Li+].[B-](C(C)CC)(C(C)CC)C(C)CC
• InChIKey: LXGCMJBNHPPNBQ-UHFFFAOYSA-N
• INCHI: 1S/C12H27B.Li/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-12H,7-9H2,1-6H3;/q-1;+1
• Isomeric SMILES: [Li+].[B-](C(C)CC)(C(C)CC)C(C)CC
• WGK Germany: 3
• Molecular Weight: 190.10
• Beilstein: 4007327

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organoboron compounds
        • Level5 Alkylboranes
          • Level6 Trialkylboranes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organoboron compounds
• Intermediate Tree Nodes: Alkylboranes
• Direct Parent: Trialkylboranes
• Alternative Parents: Organic metalloid salts Organic lithium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylborane - Organic lithium salt - Organic alkali metal salt - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylboranes. These are organoboron compounds where the boron atom is substituted by only three alkyl groups.
• 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

• Solubility: Reacts violently with water.
• Sensitivity: Air & Moisture & light Sensitive.
• Flash Point(°F): 1.4 °F
• Flash Point(°C): 73℃
• Boil Point(°C): 203°C
• Melt Point(°C): 49°C
• Molecular Weight: 189.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 189.237 Da
• Monoisotopic Mass: 189.237 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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