Cas no 167888-15-5 (Tert-butyl N-[(3R)-3-methylpyrrolidin-3-yl]carbamate)

Tert-butyl N-[(3R)-3-methylpyrrolidin-3-yl]carbamate is a chiral pyrrolidine derivative commonly used as an intermediate in pharmaceutical synthesis. Its key advantages include a stereochemically defined (R)-configuration at the 3-position, ensuring high enantiopurity for asymmetric synthesis applications. The tert-butyloxycarbonyl (Boc) protecting group enhances stability, allowing for selective deprotection under mild acidic conditions. The methyl substitution at the 3-position introduces steric and electronic modulation, making it valuable for constructing bioactive molecules. This compound is particularly useful in the development of peptidomimetics and small-molecule inhibitors due to its rigid pyrrolidine scaffold. Its well-characterized reactivity and compatibility with standard coupling reagents further contribute to its utility in medicinal chemistry.
Tert-butyl N-[(3R)-3-methylpyrrolidin-3-yl]carbamate structure
167888-15-5 structure
Product Name:Tert-butyl N-[(3R)-3-methylpyrrolidin-3-yl]carbamate
CAS No:167888-15-5
MF:C10H20N2O2
MW:200.278002738953
MDL:MFCD24368657
CID:111025
PubChem ID:68846188
Update Time:2025-05-28

Tert-butyl N-[(3R)-3-methylpyrrolidin-3-yl]carbamate Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,(3-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester, (+)- (9CI)
    • 2-Methyl-2-Propanyl (3-Methyl-3-Pyrrolidinyl)Carbamate
    • (R)-(3-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
    • Carbamic acid, (3-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester, (+)- (9CI)
    • tert-butyl N-[(3R)-3-methylpyrrolidin-3-yl]carbamate
    • SB34164
    • (R)-tert-Butyl (3-methylpyrrolidin-3-yl)carbamate
    • tert-butyl (R)-(3-methylpyrrolidin-3-yl)carbamate
    • BS-51201
    • (R)-tert-Butyl(3-methylpyrrolidin-3-yl)carbamate
    • CS-0058383
    • EN300-6957489
    • SCHEMBL3936793
    • H11710
    • 167888-15-5
    • Carbamic acid,(3-methyl-3-pyrrolidinyl)-,1,1-dimethylethyl ester,(+)-(9ci)
    • DB-388557
    • (3R)-3-(Boc-amino)-3-methylpyrrolidine
    • Tert-butyl N-[(3R)-3-methylpyrrolidin-3-yl]carbamate
    • MDL： MFCD24368657
    • Inchi： 1S/C10H20N2O2/c1-9(2,3)14-8(13)12-10(4)5-6-11-7-10/h11H,5-7H2,1-4H3,(H,12,13)/t10-/m1/s1
    • InChI Key： DIQWSFWWYVRXRO-SNVBAGLBSA-N
    • SMILES： O(C(C)(C)C)C(N[C@@]1(C)CNCC1)=O

Computed Properties

  • Exact Mass: 200.1526
  • Monoisotopic Mass: 200.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 223
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 200.28
  • XLogP3: 0.9
  • Topological Polar Surface Area: 50.4

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 289.8±29.0 °C at 760 mmHg
  • Flash Point: 129.1±24.3 °C
  • PSA: 50.36
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

Tert-butyl N-[(3R)-3-methylpyrrolidin-3-yl]carbamate Security Information

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