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[ CAS No. 39888-51-2 ]

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Cat. No.: {[proInfo.prAm]}
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type HazMat fee
Excepted Quantity Free
Inaccessible (Haz class 6.1), Domestic USD 41.00
Inaccessible (Haz class 6.1), International USD 64.00
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 83.00
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2D
Chemical Structure| 39888-51-2
Chemical Structure| 39888-51-2
Structure of 39888-51-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 39888-51-2 ]

Related Doc. of [ 39888-51-2 ]

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Alternatived Products of [ 39888-51-2 ]
Alternatived Products of [ 39888-51-2 ]

Product Details of [ 39888-51-2 ]

CAS No. :39888-51-2MDL No. :MFCD04038479
Formula : C6H13NO Boiling Point : 203.7°C
Linear Structure Formula :-InChI Key :N/A
M.W :115.17Pubchem ID :-
Synonyms :

Computed Properties of [ 39888-51-2 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 39888-51-2 ]

Signal Word:DangerClass:8
Precautionary Statements:P261-P280-P305+P351+P338UN#:1759
Hazard Statements:H315-H318-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 39888-51-2 ]

  • Upstream synthesis route of [ 39888-51-2 ]
  • Downstream synthetic route of [ 39888-51-2 ]

[ 39888-51-2 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 39888-51-2 ]
  • [ 24424-99-5 ]
  • [ 478832-21-2 ]
YieldReaction ConditionsOperation in experiment
70% at 20℃; for 19 h; (c)
Synthesis of tert-butyl 4-hydroxyazepane-1-carboxylate
Ammonium formate (900 mg) and 10percent palladium/carbon (200 mg) were added to a solution of 1-benzyl-4-azepanol (450 mg, 2.19 mmol) in ethanol (10 ml), and the resulting mixture was refluxed for 1 hour.
The reaction mixture was filtered by the use of Celite and the filtrate was concentrated.
To a solution of the resulting residue in dichloromethane (10 ml) was added di-tert-butyl dicarbonate (0.504 ml, 2.19 mmol) at room temperature, and stirred for 19 hours.
A saturated aqueous sodium hydrogencarbonate solution and then water were added to the reaction mixture, followed by extraction with chloroform.
The organic layer was dried over anhydrous magnesium sulfate and distilled under reduced pressure to remove the solvent, and the resulting residue was purified by a silica gel column chromatography (eluent: hexane/ethyl acetate = 2/1) to obtain tert-butyl 4-hydroxyazepane-1-carboxylate (333 mg, 70percent).
Reference: [1] Patent: EP1500643, 2005, A1, . Location in patent: Page 48
  • 2
  • [ 39888-51-2 ]
  • [ 188975-88-4 ]
Reference: [1] Patent: EP1500643, 2005, A1,
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