3,3-Bis(bromomethyl)oxetane
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3,3-Bis(bromomethyl)oxetane
structure -
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CAS No:
2402-83-7
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Formula:
C5H8Br2O
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Chemical Name:
3,3-Bis(bromomethyl)oxetane
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Synonyms:
Oxetane,3,3-bis(bromomethyl)-;3,3-Bis(bromomethyl)oxetane;BBMO;NSC 281665
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CAS No:
Safety Information
3265
3
34-22
26-36/37/39
Xn
P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, P501
H302
|Warning|H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory.
3,3-Bis(bromomethyl)oxetane Use and Manufacturing
(200 g, 616 mmol) and absolute EtOH (1 L). At temperature <20°C, a freshly prepared NaOEt (253 mL, 677 mmol, 21percent in EtOH) wasadded over 10 min. The reaction mixture was heated to reflux (76 °C)and a suspension was formed. After 3 h, GC analysis showed full conversionof the pentaerythritol. The reaction mixture was cooled to r.t. and the solid material was removed by filtration. The filtrate was partitionedbetween MTBE (400 mL) and H2O (550 mL). The aqueousphase was extracted with MTBE (250 mL). The combined organicphases were washed successively with H2O (250 mL) and brine (150mL), dried (Na2SO4), filtered, and concentrated in vacuo. The residue was distilled with a short path distillation setup (56 °C/0.1 mbar) and130 g (85percent) of 5b was collected as an almost colorless oil.1H NMR (CDCl3, 400 MHz): δ = 4.44 (s, 4 H), 3.86 (s, 4 H).
Oxetane, 3,3-bis(bromomethyl)-: ACTIVE
Computed Properties
Molecular Weight:243.92
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:243.89214
Monoisotopic Mass:241.89419
Topological Polar Surface Area:9.2
Heavy Atom Count:8
Complexity:74.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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