lithium(1+) ion tris(butan-2-yl)boranuide

• ChemBase ID: 128000
• Molecular Formular: C12H27BLi
• Molecular Mass: 189.09478
• Monoisotopic Mass: 189.23658581
• SMILES: [Li+].CCC(C)[B-](C(C)CC)C(C)CC
• Canonical SMILES: CCC([B-](C(CC)C)C(CC)C)C.[Li+]
• InChI: InChI=1S/C12H28B.Li/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-13H,7-9H2,1-6H3;/q-1;+1
• InChIKey: ACJKNTZKEFMEAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion tris(butan-2-yl)boranuide
• IUPAC Traditional name: lithium(1+) ion tris(sec-butyl)boranuide
• Synonyms: Lithium tri-sec-butylborohydride, 1.0M in THF; Lithium tri-sec-butylborohydride solution; L-Selectride® solution; L-selectride; Lithium tri-sec-butylhydridoborate; Lithium tri-sec-butylborohydride, 1.0M solution in THF; 三仲丁基硼氢化锂, 1.0M THF溶液; 三仲丁基硼氢化锂 溶液; L-Selectride® 溶液; 三仲丁基硼氢化锂, 1.0M THF溶液, 氩气下可重封的ChemSeal™瓶包装

Database IDs

• CAS Number: 38721-52-7
• MDL Number: MFCD00011708
• Beilstein Number: 4007327
• Merck Index: 148427
• PubChem SID: 24855566; 162222316; 24850749
• PubChem CID: 23664288
• Wikipedia Title: L-selectride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0151
• LogD (pH = 7.4): 4.0151
• Log P: 4.0151
• Molar Refractivity: 57.6617 cm^3
• Polarizability: 25.317432 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Flash Point: 1.4 °F; -17 °C; -17°C(1°F)
• Density: 0.870; 0.89 g/mL at 25 °C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3394; UN3394
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1; I
• Risk Statements: 11-14/15-17-19-34-37; 14/15-17-19-34
• Safety Statements: 16-26-36/37/39-43-45; 9-16-26-36/37/39-43-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H260-H314-H318; H225-H250-H260-H314-H335
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422; P210-P280-P305+P351+P338-P310-P370+P378I-P402+P404
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3394 4.2/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 1.0 M in THF; 1.0 M lithium tri-sec-butylborohydride in THF; 1.0M in THF; 1.0M solution in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Linear Formula: Li[CH(CH3)CH2CH3]3BH

DETAILS

Sigma Aldrich - 257044

Packaging
1.8 L in Sure-Pac™
200 mL in Sure-Pac™
Application

• Reducing agent1Reagent for:
• Enantioselective synthesis of a-amino acids via reduction of N-tert-butanesulfinyl ketimine esters2
• Diastereoselective reduction reactions3
• Hydride reduction of the Danishefsky pyranones4
• Asymmetric reductive aldol reaction of enones with a-alkoxy aldehydes5
• Synthesis of alkanols by carbonylation reactions6
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.
Legal Information
Selectride is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 178497

Packaging
100, 800 mL in Sure/Seal™
8, 18 L in Kilo-Lab™
View returnable container options.
Application

• Reducing agent1Reagent for:
• Enantioselective synthesis of a-amino acids via reduction of N-tert-butanesulfinyl ketimine esters2
• Diastereoselective reduction reactions3
• Hydride reduction of the Danishefsky pyranones4
• Asymmetric reductive aldol reaction of enones with a-alkoxy aldehydes5
• Synthesis of alkanols by carbonylation reactions6
Legal Information
Selectride is a registered trademark of Sigma-Aldrich Co. LLC