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670731

Sigma-Aldrich

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

≥99% (HPLC)

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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

Assay

≥99% (HPLC)

optical purity

enantiomeric ratio: 97.5% (HPLC)

mp

98-101 °C

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

Related Categories

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.

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H302,H400

Precautionary Statements

P273 - P301 + P312 + P330

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Diarylprolinol silyl ether salts as new, efficient, water-soluble, and recyclable organocatalysts for the asymmetric Michael addition on water
Zheng Z, et al.
Journal of the American Chemical Society, 132(1), 50-51 (2010)
Enantioselective organocatalyzed alpha sulfenylation of aldehydes.
Mauro Marigo et al.
Angewandte Chemie (International ed. in English), 44(5), 794-797 (2005-01-20)

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