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[ CAS No. 151004-93-2 ]

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2D
Chemical Structure| 151004-93-2
Chemical Structure| 151004-93-2
Structure of 151004-93-2 *Storage: {[proInfo.prStorage]}

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Product Details of [ 151004-93-2 ]

CAS No. :151004-93-2MDL No. :MFCD03426332
Formula : C10H11NO2 Boiling Point : 370.7°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :177.20Pubchem ID :6542094
Synonyms :

Computed Properties of [ 151004-93-2 ]

TPSA : 49.3 H-Bond Acceptor Count : 3
XLogP3 : -1.2 H-Bond Donor Count : 2
SP3 : 0.30 Rotatable Bond Count : 1

Safety of [ 151004-93-2 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 151004-93-2 ]

  • Upstream synthesis route of [ 151004-93-2 ]
  • Downstream synthetic route of [ 151004-93-2 ]

[ 151004-93-2 ] Synthesis Path-Upstream   1~8

  • 1
  • [ 106181-28-6 ]
  • [ 151004-92-1 ]
  • [ 151004-93-2 ]
Reference: [1] Tetrahedron Asymmetry, 2007, vol. 18, # 12, p. 1428 - 1433
  • 2
  • [ 106181-28-6 ]
  • [ 151004-93-2 ]
Reference: [1] European Journal of Organic Chemistry, 2008, # 31, p. 5269 - 5276
  • 3
  • [ 106181-28-6 ]
  • [ 151004-93-2 ]
Reference: [1] Tetrahedron Asymmetry, 2007, vol. 18, # 12, p. 1428 - 1433
  • 4
  • [ 486-73-7 ]
  • [ 151004-93-2 ]
Reference: [1] Tetrahedron Asymmetry, 2007, vol. 18, # 12, p. 1428 - 1433
  • 5
  • [ 106181-28-6 ]
  • [ 151004-92-1 ]
  • [ 151004-93-2 ]
Reference: [1] Tetrahedron Asymmetry, 2007, vol. 18, # 12, p. 1428 - 1433
  • 6
  • [ 41034-52-0 ]
  • [ 151004-93-2 ]
Reference: [1] Tetrahedron Asymmetry, 2007, vol. 18, # 12, p. 1428 - 1433
[2] Patent: US2016/272636, 2016, A1,
  • 7
  • [ 24424-99-5 ]
  • [ 151004-93-2 ]
  • [ 151004-96-5 ]
YieldReaction ConditionsOperation in experiment
85% With sodium carbonate; ozone In tetrahydrofuran; water at 0℃; Green chemistry Example 8
Preparation of (1R)-2-[(tert-butyl) oxycarbonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (compound 4A)
(R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (80 g, 0.45 mol) dissolved in 845 mL tetrahydrofuran (THF) and Na2C
O3 (191.5 g, 1.8 mol) dissolved in 845 mL H2O were mixed and cooled to 0° C. (Boc)2O (108 g, 0.5 mol) dissolved in 280 mL tetrahydrofuran was dropwise added into the solution at 0° C. and then the system was stirred overnight.
After the end of reaction, the system was extracted with ethylacetate (EA), and the extracted organic layers were merged, washed with NaCl saturated solution, dried over anhydrate sodium sulfate, and vacuum-evaporated to dryness.
The dried residue was purified by silica gel column chromatography with PE/EA=1:1 as the eluent to give a white solid, i.e. compound 4A (106 g, 85percent yield).
Reference: [1] Patent: US2016/272636, 2016, A1, . Location in patent: Paragraph 0065; 0066; 0067
[2] Collection of Czechoslovak Chemical Communications, 1988, vol. 53, # 11A, p. 2549 - 2573
  • 8
  • [ 13139-17-8 ]
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  • [ 151004-88-5 ]
Reference: [1] Patent: WO2005/7164, 2005, A1, . Location in patent: Page 55
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