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Home > Encyclopedia > 1-BOC-3-BROMOMETHYLPIPERIDINE

1-BOC-3-BROMOMETHYLPIPERIDINE

1-BOC-3-BROMOMETHYLPIPERIDINE structure

1-BOC-3-BROMOMETHYLPIPERIDINE 

structure
  • CAS No:

    193629-39-9

  • Formula:

    C11H20BrNO2

  • Chemical Name:

    1-BOC-3-BROMOMETHYLPIPERIDINE

  • Synonyms:

    TERT-BUTYL 3-(BROMOMETHYL)PIPERIDINE-1-CARBOXYLATE;3-BROMOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-BOC-3-BROMOMETHYLPIPERIDINE;1-N-BOC-3-BROMOMETHYLPIPERIDINE;3-(Bromomethyl)piperidine, N-BOC protected;N-Boc-3-(bromomethyl)piperidine;1-Boc-3-broMoMethylpiperi...;tert-Butyl 3-(bromomethyl)piperidine-1-carboxylate, 3-(Bromomethyl)-1-(tert-butoxycarbonyl)piperidine

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

1-BOC-3-BROMOMETHYLPIPERIDINE Basic Attributes

278.19

277.067749

2933399090

Characteristics

29.5

2.6

1.27

318.3±15.0 °C(Predicted)

146.3±20.4 °C

1.495

Safety Information

36

26

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-BOC-3-BROMOMETHYLPIPERIDINE Use and Manufacturing

Raw material 2 (1.0 eq), 9 (1.0 eq) and K2CO3 (1.5 eq) were added to the reaction flask, and an appropriate amount of DMF was added as a solvent, and stirred at 60 C. The reaction was completed by TLC, and the mixture was extracted with water and EtOAc. The oil layer was collected, and the oil layer was washed three times with saturated brine.Dried over anhydrous Na2SO4 oil layer, the oil layer was purified by column spin dry, PE / EtOAc as eluent afforded Intermediate 10 as a white.Raw material 8 (1.0 eq) was added to the reaction flask, and a sufficient amount of ACE was added as a solvent. The mixture was stirred at room temperature, and LiBr (3.0 eq) was slowly added thereto, and the temperature was gradually raised to reflux, overnight. The reaction solution was cooled to room temperature, and the reaction mixture was quenched with water. The reaction mixture was evaporated to dryness, and then the mixture was evaporated and evaporated with EtOAc and water, and the oil layer was collected, and the oil layer was washed three times with saturated brine, and the oil layer was dried over Na 2 SO 4 Product 9, no purification required.

Computed Properties

Molecular Weight:278.19
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:277.06774
Monoisotopic Mass:277.06774
Topological Polar Surface Area:29.5
Heavy Atom Count:15
Complexity:225
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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