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Home > Encyclopedia > 1-Benzhydryl-3-iodoazetidine

1-Benzhydryl-3-iodoazetidine

1-Benzhydryl-3-iodoazetidine structure

1-Benzhydryl-3-iodoazetidine 

structure
  • CAS No:

    125735-40-2

  • Formula:

    C16H16IN

  • Chemical Name:

    1-Benzhydryl-3-iodoazetidine

  • Synonyms:

    1-Benzhydryl-3-iodoazetidine;N-Benzhydryl-3-iodoazetidine;Azetidine, 1-(diphenylMethyl)-3-iodo-;3-Iodo-N-benzhydrylazetidine

1-Benzhydryl-3-iodoazetidine Basic Attributes

349.22

349.032745

DTXSID80428546

2933990090

Characteristics

3.2

4.2

1.55

101~102℃

377℃

182℃

1.677

1-Benzhydryl-3-iodoazetidine Use and Manufacturing

Step 1: l-Benzhydryl-3-iodoazetidinePotassium iodide (530 mg, 3.14 mmol) was added to a solution of 1- benzhydrylazetidin-3-yl methanesulfonate (500 mg, 1.57 mmol) in a mixture of water (2.5 mL) and 1, 2-dimethoxyethane (2.5 mL) at room temperature. The reaction mixture was then heated up to reflux and stirred for 3 hours. After cooling down to room temperature, the reaction mixture was diluted by addition of water (50 mL) and ethyl acetate (50 mL). The aqueous phase was separated and extracted with ethyl acetate (2 x 70 mL). The combined organic phases were washed with a saturated solution of sodium chloride (40 mL), dried over sodium sulfate, filtered and concentrated to dryness. The title compound was obtained as a yellow solid (550 mg, 100percent). LCMS (ESI-APCI) m/z 350.0 (M + H)Preparation 21

Computed Properties

Molecular Weight:349.21
XLogP3:4.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:349.03275
Monoisotopic Mass:349.03275
Topological Polar Surface Area:3.2
Heavy Atom Count:18
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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