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CS-W001157 4
Total: USD 88.00

(S)-4-chlorobutane-1,3-diol Afatinib Impurity

  • CAS No. 139013-68-6

  • Cat. No. CS-0167280
  • Purity≥98%
  • MDL No.MFCD00798266

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

(S)-4-chlorobutane-1,3-diol Afatinib Impurity|CS-0167280

Structure of 139013-68-6

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General Information

  • CAS No. 139013-68-6
  • Cat. No. CS-0167280
  • Purity ≥98%
  • MDL No. MFCD00798266
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₉ClO₂
  • Molecular Weight 124.57
  • Synonym(s) Amprenavir Impurity 1
  • SMILES OCC[C@@H](CCl)O

Synthesis

  • Route1
    • Ethyl 4-chloro-3-hydroxybutanoate|CS-0187412
      10488-69-4
    • ~95%
    • (S)-4-chlorobutane-1,3-diol Afatinib Impurity|CS-0167280
      139013-68-6

    References

    • RSTECH CORPORATION Patent: WO2008/93955 A1, 2008 ; Location in patent: Paragraph 71-72 ;
  • Route2

    References

    • RSTECH CORPORATION Patent: WO2008/93955 A1, 2008 ; Location in patent: Paragraph 89-90 ;
  • Route3
    • null|null
      1092554-98-7
    • ~77%
    • (S)-4-chlorobutane-1,3-diol Afatinib Impurity|CS-0167280
      139013-68-6

    References

    • Pienaar, Daniel P.; Mitra, Robin K.; Deventer, Thomas I. van; Botes, Adriana L. Tetrahedron Letters, 2008 , vol. 49, # 48 p. 6752 - 6755

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   -0.0315
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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