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3-(6-Chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid

  • CAS No. 351003-03-7

  • Cat. No. CS-0197179
  • Purity≥98%
  • MDL No.None
  • HazMat Fee +

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    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    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.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

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

3-(6-Chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid|CS-0197179

Structure of 351003-03-7

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Description

This 3-(6-chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid integrates a chlorinated oxazine core with a propionic acid side chain, offering enhanced solubility and stability for medicinal chemistry applications. The electron-deficient oxazine ring enables efficient coupling reactions, while the carboxylic acid group facilitates conjugation in synthetic pathways.

Application

3-(6-Chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid serves as a versatile building block for constructing bioactive heterocyclic scaffolds. Its carboxylic acid functionality enables direct coupling reactions and derivatization, while the fused oxazinone core provides structural rigidity and metabolic stability. The 6-chloro substituent offers a handle for further functionalization via nucleophilic substitution. This compound exhibits bench stability and compatibility with standard synthetic protocols, facilitating integration into medicinal chemistry and process development workflows.

General Information

  • CAS No. 351003-03-7
  • Cat. No. CS-0197179
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀ClNO₄
  • Molecular Weight 255.65
  • Synonym(s) 6-Chloro-2,3-Dihydro-3-Oxo-4H-1,4-Benzoxazine-4-Propionic Acid
  • SMILES C1=CC2=C(C=C1Cl)N(CCC(=O)O)C(=O)CO2

Computational Chemistry Data

  • TPSA   66.84
  • LogP   1.5401
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

Safety Information

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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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