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Chemical Structure| 104177-96-0 Chemical Structure| 104177-96-0
Chemical Structure| 104177-96-0

3-Phenylpentan-3-amine hydrochloride

CAS No.: 104177-96-0

4.5 *For Research Use Only !

Cat. No.: A138608 Purity: 95%

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Product Details of [ 104177-96-0 ]

CAS No. :104177-96-0
Formula : C11H18ClN
M.W : 199.72
SMILES Code : Cl.C1(=CC=CC=C1)C(CC)(CC)N
MDL No. :MFCD08275694
InChI Key :RKYQFKGYZSIYTP-UHFFFAOYSA-N
Pubchem ID :45036910

Safety of [ 104177-96-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P280-P305+P351+P338-P310

Application In Synthesis of [ 104177-96-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 104177-96-0 ]

[ 104177-96-0 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 925-90-6 ]
  • [ 100-47-0 ]
  • [ 104177-96-0 ]
  • 2
  • C16H18ClN3O [ No CAS ]
  • [ 104177-96-0 ]
  • [ 791061-65-9 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In toluene; at 70℃; for 3.0h; To a mixture of 8a (1.0 g, 3.50 mmol) and DMF (one drop) in toluene (10 mL) was added SOCl2 (0.83 g, 7.00 mmol) at room temperature. After stirring at the same temperature for 1 h, the solvent was evaporated off. A mixture of 3-phenylpentan-3-amine hydrochloride (0.77 g, 3.87 mmol) and Et3N (0.97 g, 9.59 mmol) in toluene (10 mL) was stirred at 70 C for 1 h, and then the acid chloride obtained in toluene was added to the reaction mixture at 70 C. After stirring at the same temperature for 3 h, the reaction mixture was poured into H2O and extracted with EtOAc. The extract was washed with brine, dried over MgSO4, and concentrated in vacuo. The residue was chromatographed on SiO2 with EtOAc-hexane (1:1) to give an amorphous solid. To a solution of the amorphous solid obtained in Et2O was added 4 N HCl in EtOAc at 0 C. The precipitated crystals were collected by filtration and washed with Et2O (0.85 g, 52%), mp 185-186 C; 1H NMR (CDCl3): delta 0.74-0.83 (6H, m), 1.80 (3H, s), 1.95 (3H, s), 2.00-2.25 (6H, m), 2.86 (3H, s), 4.53-4.58 (1H, m), 5.68 (1H, s), 7.24-7.36 (11H, m). Anal. Calcd for C27H35ClN4O: C, 69.43; H, 7.55; N, 12.00. Found: C, 69.19; H, 7.82; N, 11.97.
  • 3
  • [ 667921-18-8 ]
  • [ 104177-96-0 ]
  • [ 667925-66-8 ]
 

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