rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(3,4-dichlorophenyl)-1,3-pyrrolidinedicarboxylate

CAS Registry Number®

1160260-94-5
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CAS Name

rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(3,4-dichlorophenyl)-1,3-pyrrolidinedicarboxylate

Molecular Formula

C16H19Cl2NO4

Molecular Mass

360.23

Cite this Page

rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(3,4-dichlorophenyl)-1,3-pyrrolidinedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1160260-94-5 (retrieved 2024-08-22) (CAS RN: 1160260-94-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H19Cl2NO4/c1-16(2,3)23-15(22)19-7-10(11(8-19)14(20)21)9-4-5-12(17)13(18)6-9/h4-6,10-11H,7-8H2,1-3H3,(H,20,21)/t10-,11+/s2

InChIKey

InChIKey=YAFUFMBNEFTUBN-WIBLRKLZNA-N

SMILES

C(O)(=O)[C@@H]1[C@H](CN(C(OC(C)(C)C)=O)C1)C2=CC(Cl)=C(Cl)C=C2

Canonical SMILES

O=C(OC(C)(C)C)N1CC(C(=O)O)C(C2=CC=C(Cl)C(Cl)=C2)C1

Other Names for this Substance

  • 1,3-Pyrrolidinedicarboxylic acid, 4-(3,4-dichlorophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
  • rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(3,4-dichlorophenyl)-1,3-pyrrolidinedicarboxylate
  • rel-(3R,4S)-1-(tert-Butoxycarbonyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid