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[ CAS No. 19525-87-2 ]

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2D
Chemical Structure| 19525-87-2
Chemical Structure| 19525-87-2
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Product Details of [ 19525-87-2 ]

CAS No. :19525-87-2MDL No. :MFCD00191312
Formula : C11H16ClNO3 Boiling Point : 330.2°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :245.70Pubchem ID :44630138
Synonyms :

Computed Properties of [ 19525-87-2 ]

TPSA : 61.6 H-Bond Acceptor Count : 4
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.36 Rotatable Bond Count : 6

Safety of [ 19525-87-2 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 19525-87-2 ]

  • Upstream synthesis route of [ 19525-87-2 ]
  • Downstream synthetic route of [ 19525-87-2 ]

[ 19525-87-2 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 19525-87-2 ]
  • [ 79069-15-1 ]
Reference: [1] Synthesis, 1997, # 10, p. 1146 - 1150
  • 2
  • [ 23680-31-1 ]
  • [ 19525-87-2 ]
YieldReaction ConditionsOperation in experiment
100% With thionyl chloride In dichloromethane at 0℃; for 14 h; Example 44A; <n="114"/>To a solution of 300 mg (1.02 mmol) (S)-3-benzyloxy-2-tert-butoxycarbonylamino- propionic acid in 10 ml DCM is added 1.5 ml (20.5 mmol) thionylchloride at 00C. After stirring for 14 h the mixture is concentrated and evaporated several times after the additon of methanol to yield the hydrochlorde of the product as a solid. yield: 270 mg (100percent)LC-MS (Method 1s): RT = 0.92 minMS (ESI pos): m/z = 210 (M+H)+
Reference: [1] Patent: WO2009/92566, 2009, A1, . Location in patent: Page/Page column 112-113
  • 3
  • [ 67-56-1 ]
  • [ 4726-96-9 ]
  • [ 19525-87-2 ]
Reference: [1] Tetrahedron Asymmetry, 2008, vol. 19, # 14, p. 1689 - 1697
[2] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 8, p. 1942 - 1944
[3] Journal of the Chemical Society. Perkin Transactions 1, 2002, # 8, p. 1083 - 1091
[4] European Journal of Organic Chemistry, 2002, # 5, p. 873 - 880
[5] Journal of Medicinal Chemistry, 1985, vol. 28, # 9, p. 1228 - 1234
[6] Synthesis, 1997, # 10, p. 1146 - 1150
[7] Journal of Medicinal Chemistry, 2013, vol. 56, # 7, p. 2936 - 2947
  • 4
  • [ 67-56-1 ]
  • [ 76614-98-7 ]
  • [ 19525-87-2 ]
Reference: [1] Tetrahedron, 2006, vol. 62, # 31, p. 7484 - 7491
  • 5
  • [ 46460-82-6 ]
  • [ 19525-87-2 ]
Reference: [1] Organic Letters, 2012, vol. 14, # 16, p. 4246 - 4249
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