structure of 1-(tert-Butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

1-(tert-Butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

CAS No.: 1000415-75-7
M. Wt: 321.36800
M. Fa: C17H23NO5
InChI Key: ISEHHCOIDMZBSU-UONOGXRCSA-N
Appearance: White To Off-White Solid

Names and Identifiers of 1000415-75-7

CAS Number

1000415-75-7

MDL Number

MFCD02089476

IUPAC Name

(3S,4R)-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

InChI

InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-13(14(10-18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)/t13-,14+/m0/s1

InChIKey

ISEHHCOIDMZBSU-UONOGXRCSA-N

Canonical SMILES

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

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC=C(C=C2)OC

UNSPSC Code

12352100

Physical and chemical properties of 1000415-75-7

Acidity coefficient

4.33±0.40(Predicted)

Boiling Point

474.6±45.0 °C(Predicted)

Density

1.201±0.06 g/cm3(Predicted)

Exact Mass

321.15800

LogP

2.66820

Molecular Formula

C17H23NO5

Molecular Weight

321.36800

PSA

76.07000

Storage condition

2-8℃

Safety Information of 1000415-75-7

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000415-75-7

Trans-1-Boc-3-carboxy-4-(4-methoxyphenyl)pyrrolidine has diverse applications, particularly in:

  • Pharmaceutical Development: Its structure allows for modifications that can lead to new drug candidates.
  • Research: Used in studies related to peptide synthesis and medicinal chemistry.
  • Chemical Synthesis: Acts as an intermediate in the synthesis of other complex organic molecules.

Biological Activity of 1000415-75-7

While specific biological activities of trans-1-Boc-3-carboxy-4-(4-methoxyphenyl)pyrrolidine have not been extensively documented, compounds with similar structures often exhibit significant biological properties. The presence of the methoxy group may enhance lipophilicity, potentially improving bioavailability and cellular uptake. This compound's ability to form peptide bonds suggests potential applications in drug development targeting various biological pathways.

Physical sample testing spectrum (NMR) of 1000415-75-7

Physical sample testing spectrum (NMR) of 1000415-75-7