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[ CAS No. 72954-91-7 ]

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2D
Chemical Structure| 72954-91-7
Chemical Structure| 72954-91-7
Structure of 72954-91-7 *Storage: {[proInfo.prStorage]}

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Alternatived Products of [ 72954-91-7 ]

Product Details of [ 72954-91-7 ]

CAS No. :72954-91-7MDL No. :MFCD28126643
Formula : C10H15Cl2N Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :220.10Pubchem ID :67124518
Synonyms :

1. 4-Chloro-α-(1-methylethyl)-benzenemethanamine hydrochloride

Computed Properties of [ 72954-91-7 ]

TPSA : 26 H-Bond Acceptor Count : 1
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.40 Rotatable Bond Count : 2

Safety of [ 72954-91-7 ]

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

Application In Synthesis of [ 72954-91-7 ]

  • Downstream synthetic route of [ 72954-91-7 ]

[ 72954-91-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1350711-94-2 ]
  • [ 72954-91-7 ]
  • [ 1350711-96-4 ]
YieldReaction ConditionsOperation in experiment
Intermediate 18 (200 mg, 0.724 mmol), l-(4-chlorophenyl)-2- methylpropan-1 -amine hydrochloride (159 mg, 0.724 mmol) and HOBT (111 mg, 0.724 mmol) in CH2C12 (4.0 ml) were reacted with EDC (277 mg, 1.448 mmol) and triethylamine (0.101 ml, 0.724 mmol) at rt. The reaction was aged at rt until complete, and concentrated. The reaction mixture was dissolved in THF and water (3:1 v/v), and treated with j>-toluenesulfonic acid. When the reaction was complete, the mixture was concentrated. The resulting product was purified on a silica gel column by elution with 0 to 100% EtOAc hexanes to afford the title compound. HPLC/MS: 398.3/400.1 (M+l); Rt = 1.21 min (LC-2).
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