Cas no 138423-86-6 (1-tert-butyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate)

1-tert-Butyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate is a chiral pyrrolidine derivative widely used as an intermediate in organic synthesis and pharmaceutical applications. Its stereospecific (2S) configuration and tert-butyl/methyl ester protection enhance its utility in asymmetric synthesis, enabling precise control over reaction pathways. The 4,4-dimethyl substitution on the pyrrolidine ring contributes to steric hindrance, improving selectivity in nucleophilic or catalytic transformations. This compound is particularly valuable in peptide mimetics and bioactive molecule development due to its rigid, constrained structure. High purity and stability under standard conditions make it a reliable reagent for complex synthetic routes. Its dual carboxylate protection allows selective deprotection, facilitating stepwise functionalization.
1-tert-butyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate structure
138423-86-6 structure
Product Name:1-tert-butyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate
CAS No:138423-86-6
MF:C13H23NO4
MW:257.3260242939
MDL:MFCD18914400
CID:64533
PubChem ID:15719914
Update Time:2025-06-07

1-tert-butyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • (S)-1-tert-Butyl 2-methyl 4,4-dimethylpyrrolidine-1,2-dicarboxylate
    • (S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
    • 1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
    • L-Boc-4,4-dimethylproline
    • 1,2-Pyrrolidinedicarboxylicacid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-
    • 1-tert-butyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate
    • (S)-1-Boc-4,4-dimethyl-pyrrolidine-2-carboxylic acid methyl ester
    • (S)-1-tert-butyl2-methyl4,4-dimethylpyrrolidine-1,2-dicarboxylate
    • SCHEMBL883144
    • AM20080557
    • AKOS016007835
    • 138423-86-6
    • AS-54217
    • Methyl (S)-1-boc-4,4-dimethylpyrrolidine-2-carboxylate
    • 1-O-tert-butyl 2-O-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate
    • CS-WAA0241
    • 1-t-Butyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate
    • MFCD18914400
    • P17640
    • MDL： MFCD18914400
    • Inchi： 1S/C13H23NO4/c1-12(2,3)18-11(16)14-8-13(4,5)7-9(14)10(15)17-6/h9H,7-8H2,1-6H3/t9-/m0/s1
    • InChI Key： YSKUQLCATBOEBJ-VIFPVBQESA-N
    • SMILES： O(C(C)(C)C)C(N1[C@H](C(=O)OC)CC(C)(C)C1)=O

Computed Properties

  • Exact Mass: 243.14700
  • Monoisotopic Mass: 257.163
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 330
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 55.8A^2

Experimental Properties

  • Density: 1.117
  • Boiling Point: 345.1°Cat760mmHg
  • Flash Point: 162.5°C
  • Refractive Index: 1.483
  • PSA: 66.84000
  • LogP: 2.04450

1-tert-butyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate Pricemore >>

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