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Chemical Structure| 41886-04-8 Chemical Structure| 41886-04-8

Structure of 41886-04-8

Chemical Structure| 41886-04-8

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Product Details of [ 41886-04-8 ]

CAS No. :41886-04-8
Formula : C7H14BrN
M.W : 192.10
SMILES Code : CN1CC(CBr)CCC1
MDL No. :MFCD12024938

Safety of [ 41886-04-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Class:8
UN#:1760
Packing Group:

Application In Synthesis of [ 41886-04-8 ]

* 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 [ 41886-04-8 ]

[ 41886-04-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 7583-53-1 ]
  • [ 41886-04-8 ]
YieldReaction ConditionsOperation in experiment
100% With pyridine; dibromotriphenylphosphorane; In acetonitrile; at 0 - 25℃; for 94h; 3-(HYDROXYMETHYL)-1-METHYLPIPERIDINE (2g, 15. 5MMOLES) was dissolved in anhydrous acetonitrile (32mL) and anhydrous pyridine (2.02mL, 24. 8mmoles) was added and the solution was cooled to 0 C. Dibromotriphenylphosphorane (8. 49G, 20. 2mmoles) was added at 0 C and the mixture was allowed to warm up to 25 C and was stirred for 94h. The mixture was evaporated to dryness and the residue was chromatographed on a silica gel column (30x5cm) using gradient elution with dichloromethane, 35percent diethyl ether in DICHLOROMETHANE and 5-10percent methanol in dichloromethane as the eluant to give 3-(BROMOMETHYL)-1- METHYLPIPERIDINE (3.13g, 100percent): FABMS: m/z 192.1 (MH+) ; 8H (CDCI3) 1.52 (1H, m, CH2), 1. 99 (2H, m, CH2), 2.43 (1 H, m, CH2), 2.75 (2H, m, CH2), 2.82 (1 H, m, CH), 2.86/2. 88 (3H, s, NCH3), 3.42/3. 49 (2H, dd,-CH2Br) and 3.56 ppm (2H, m, CH2); 8C (CDCI3) CH3 : 44.3 ; CH2: 22.1, 26.6, 35.4, 54.8, 58.2 ; CH: 34. 6.
  • 2
  • [ 7583-53-1 ]
  • [ 1034-39-5 ]
  • [ 41886-04-8 ]
YieldReaction ConditionsOperation in experiment
100% With pyridine; In methanol; dichloromethane; acetonitrile; A. 3-(BROMOMETHYL)-1-METHYLPIPERIDINE <strong>[7583-53-1]3-(Hydroxymethyl)-1-methylpiperidine</strong> (2 g, 15.5 mmoles) was dissolved in anhydrous acetonitrile (32 mL) and anhydrous pyridine (2.02 mL, 24.8 mmoles) was added and the solution was cooled to 0° C. Dibromotriphenylphosphorane (8.49 g, 20.2 mmoles) was added at 0° C. and the mixture was allowed to warm up to 25° C. and was stirred for 94 h. The mixture was evaporated to dryness and the residue was chromatographed on a silica gel column (30*5 cm) using gradient elution with dichloromethane, 35percent diethyl ether in dichloromethane and 5-10percent methanol in dichloromethane as the eluant to give 3-(bromomethyl)-1-methylpiperidine (3.13 g, 100percent): FABMS: m/z 192.1 (MH+); deltaH (CDCl3) 1.52 (1H, m, CH2), 1.99 (2H, m, CH2), 2.43 (1H, m, CH2), 2.75 (2H, m, CH2), 2.82 (1H, m CH), 2.86/2.88 (3H, s, NCH3), 3.42/3.49 (2H, dd, -CH2Br) and 3.56 ppm (2H, m, CH2); deltaC (CDCl3) CH3: 44.3; CH2: 22.1, 26.6, 35.4, 54.8, 58.2; CH: 34.6.
 

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