670731

(S)-α,α-Bis(3,5-dimethylphenyl)-2-pyrrolidinemethanol

≥99% (HPLC)

• Synonym(s): (S)-(−)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine
• Empirical Formula (Hill Notation): C₂₁H₂₇NO
• CAS Number: 131180-63-7
• Molecular Weight: 309.45
• MDL number: MFCD10566962
• UNSPSC Code: 12352005
• PubChem Substance ID: 329760383
• NACRES: NA.22

Properties

• assay: ≥99% (HPLC)
• optical purity: enantiomeric ratio: 97.5% (HPLC)
• mp: 98-101 °C
• functional group: hydroxyl
• storage temp.: 2-8°C
• SMILES string: Cc1cc(C)cc(c1)C(O)([C@@H]2CCCN2)c3cc(C)cc(C)c3
• InChI: 1S/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m0/s1
• InChI key: MXIOBZPVLNQGIU-FQEVSTJZSA-N

Description

Application

(S)-α,α-Bis(3,5-dimethylphenyl)-2-pyrrolidinemethanol can be used as:

• A chiral organocatalyst in the preparation of α-[(phenyl)methyl]thio]alkanal derivatives using aldehydes as starting materials and [(phenyl)methyl]thio]triazole as a sulfur electrophile.
• A catalyst in the preparation of chiral bipyrazolidin-3-one derivatives by cycloadditions of azomethine imines with α,β-unsaturated aldehydes.

Safety Information

• pictograms: GHS07,GHS09
• signalword: Warning
• hcodes: H302,H400
• pcodes: P273 - P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Acute 1
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves