40764

(+)-Tröger′s base

LiChropur^™, ≥99.0%

• Synonym(s): (5S,11S)-(+)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
• Empirical Formula (Hill Notation): C₁₇H₁₈N₂
• CAS Number: 21451-74-1
• Molecular Weight: 250.34
• Beilstein/REAXYS Number: 88612
• MDL number: MFCD00151116
• UNSPSC Code: 41116105
• PubChem Substance ID: 329755940
• NACRES: NA.22

Properties

• grade: derivatization grade ((chiral))
• Quality Level: 100
• assay: ≥99.0% (sum of enantiomers, HPLC); ≥99.0%
• optical activity: [α]20/D +283±4°, c = 0.3% in hexane
• optical purity: enantiomeric ratio: ≥99.5:0.5 (HPLC)
• quality: LiChropur^™
• mp: 127-131 °C (lit.); 127-131 °C
• SMILES string: Cc1ccc2[N@H]3C[N@@H](Cc2c1)c4ccc(C)cc4C3
• InChI: 1S/C17H18N2/c1-12-3-5-16-14(7-12)9-18-11-19(16)10-15-8-13(2)4-6-17(15)18/h3-8H,9-11H2,1-2H3
• InChI key: SXPSZIHEWFTLEQ-UHFFFAOYSA-N

Description

General description

Tröger base (TB) is a chiral heterocyclic amine with chirality due to the presence of two stereogenic nitrogen atoms.[1]

Application

It was used as an standard analyte for testing the enantioseparation capability of the chiral stationary phase column; in a study to understand the covalently bonded cellulose tris(3,5-dimethylphenylcarbamate) on a silica monolithic capillary column.[2]

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Chiral diamine with hindered inversion at the nitrogen atoms[3]

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Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves