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CS-W001157 4
Total: USD 88.00

(R)-methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate Sitagliptin Impurity

  • CAS No. 881995-69-3

  • Cat. No. CS-0165426
  • Purity≥95%
  • MDL No.MFCD26127272
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    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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*For research and further manufacturing use only, not for direct human use.

(R)-methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate  Sitagliptin Impurity|CS-0165426

Structure of 881995-69-3

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Description

(R)-methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate serves as a critical impurity reference standard in sitagliptin synthesis monitoring. This chiral intermediate features a trifluorophenyl moiety that enhances metabolic stability and contributes to the compound’s pharmacophoric integrity. The molecule exhibits bench-stable handling characteristics under standard conditions, facilitating accurate quantification in quality control workflows.

Application

(R)-Methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate serves as a key chiral intermediate in the synthesis of sitagliptin, a DPP-4 inhibitor used in type 2 diabetes management. The molecule features a stereogenic center with defined (R)-configuration, enabling high-fidelity incorporation into the final API scaffold. Its amino and ester functionalities offer orthogonal reactivity for downstream transformations, including amidation and coupling reactions. Bench-stable under standard handling conditions, it facilitates efficient purification and consistent yield in multi-step synthetic sequences.

General Information

  • CAS No. 881995-69-3
  • Cat. No. CS-0165426
  • Purity ≥95%
  • MDL No. MFCD26127272
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂F₃NO₂
  • Molecular Weight None
  • Synonym(s) Benzenebutanoic acid,3-amino-2,4,5-trifluoro-, methyl ester, (3R)-
  • SMILES O=C(OC)C[C@H](N)CC1=CC(F)=C(F)C=C1F

Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.5368
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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