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Oxetan-3-ol

Oxetan-3-ol structure

CAS No:
7748-36-9
Formula:
C3H6O2
Chemical Name:
Oxetan-3-ol
Synonyms:
3-Oxetanol;Ooetan-3-ol;Oxetan-3-ol;3-HYDROXYOXETANE;1,3-Epoxy-2-propanol;3-Hydroxyoxetane 95%;Oxetan-3-ol, 1,3-Epoxypropan-2-ol;3 - hydroxyl oxygen heterocyclic butane
Categories:
Organic Chemistry > Nitrogen Compounds

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Description

Colorless Transparent Liquid

Oxetan-3-ol Basic Attributes

Molecular Weight：

74.079

Exact Mass：

74.036781

DSSTox ID：

DTXSID30433064

HScode：

2932999099

Characteristics

PSA：

29.5

XLogP3：

-0.8

Density：

1.3±0.1 g/cm3

Boiling Point：

153.124°C at 760 mmHg

Flash Point：

77.3±12.7 °C

Refractive Index：

1.489

Storage Conditions：

Room temperature.

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

hazard class code：

22-37/38-41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (95.45%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Oxetan-3-ol Use and Manufacturing

1-5 ( 59 g · 98 , 600 · 41mmol) and 10percent palladium on carbon in methanol (1 (λ OOg) was added 1000ml of hydrogenOf the autoclave , the reaction temperature at 40 ° , 10atm , the reaction 24h, the hydrogenation was completed, the palladium carbon by filtration , the solvent was concentrated under reduced pressure.Distillation colorless liquid product 142 · 63g, yield 95. 84percent;A solution of Part C compound (15 g, 103 mmol) in MeOH (5.26 mL, 125 mmol) was cooled to 15-18° C., and p-TsOH (100 mg, 0.581 mmol) was added with stirring. The reaction mixture was stirred for 45 min, after which NaHCOTo a suspension of oxetan-3-one (1.2 g) in THF (20 mL) was added NaBH4 (0.8 g). The resulting mixture was stirred at 25°C for 4 hours, and then quenched with aq. NH4CIsolution (10 mL). The resulting solution was dried with Na2SO4 overnight. After filtration, the solvent was removed under reduced pressure to afford oxetan-3-ol (1.0 g).

Computed Properties

Molecular Weight:74.08
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:74.036779430
Monoisotopic Mass:74.036779430
Topological Polar Surface Area:29.5
Heavy Atom Count:5
Complexity:31.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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