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2-(Oxetan-3-ylidene)acetonitrile

Product Name
2-(Oxetan-3-ylidene)acetonitrile
CAS No.
1123787-67-6
Chemical Name
2-(Oxetan-3-ylidene)acetonitrile
Synonyms
2-(3-Oxetanylidene)acetonitrile;1-(Oxetan-3-ylidene)acetonitrile;2-(Oxetan-3-ylidene)acetonitrile;Acetonitrile, 2-(3-oxetanylidene)-;2-(3-Oxetanylidene)acetonitrile 95%;2-(oxetan-3-ylidene)acetonitrile - [X6646]
CBNumber
CB32485460
Molecular Formula
C5H5NO
Formula Weight
95.1
MOL File
1123787-67-6.mol
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2-(Oxetan-3-ylidene)acetonitrile Property

Melting point:
56-58℃
Boiling point:
216℃
Density 
1.309
Flash point:
88℃
storage temp. 
2-8°C
form 
solid
Appearance
White to light yellow Solid
InChIKey
DSKHBLMKLTZNRU-UHFFFAOYSA-N
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Safety

Hazard Codes 
Xn
Risk Statements 
22
WGK Germany 
3
HS Code 
2932190090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
731579
Product name
2-(3-Oxetanylidene)acetonitrile
Purity
95%
Packaging
250mg
Price
$113
Updated
2023/01/07
TRC
Product number
E589108
Product name
2-(Oxetan-3-ylidene)acetonitrile
Packaging
100mg
Price
$65
Updated
2021/12/16
Apolloscientific
Product number
OR309060
Product name
(Oxetan-3-ylidene)acetonitrile
Packaging
250mg
Price
$92
Updated
2021/12/16
SynQuest Laboratories
Product number
4H37-1-06
Product name
Oxetan-3-ylideneacetonitrile
Purity
95%
Packaging
250mg
Price
$199
Updated
2021/12/16
AK Scientific
Product number
2176AA
Product name
2-(Oxetan-3-ylidene)acetonitrile
Packaging
1g
Price
$304
Updated
2021/12/16
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2-(Oxetan-3-ylidene)acetonitrile Chemical Properties,Usage,Production

Synthesis

6704-31-0

2537-48-6

1123787-67-6

General procedure: preparation of intermediate compound (92). To a suspension of sodium hydride (4.12 g, 102.83 mmol) in 1,2-dimethoxyethane (DME, 120 mL), diethyl cyanomethylphosphonate (91) (16.2 mL, 99.8 mmol) was slowly added at 0-5 °C, keeping the reaction temperature below 5 °C. After stirring for 30 min at 0-5 °C, the mixture changed from a non-homogeneous phase to a homogeneous phase. Subsequently, a solution of DME (20 mL) of oxetan-3-one (90) (10.1 g, 83.2 mmol) was added dropwise to this homogeneous mixture at 5 °C. The reaction mixture was gradually warmed to room temperature and stirred overnight. Upon completion of the reaction, the reaction was quenched with water (250 mL) and extracted with ethyl acetate (200 mL, followed by 100 mL). The organic layers were combined, washed with brine (200 mL), dried over anhydrous magnesium sulfate (MgSO4), filtered, and the filtrate was concentrated to dryness under reduced pressure to afford 2-(oxetan-3-ylidene)acetonitrile (92) (8.0 g, 60% yield) as an oil, which was allowed to solidify. The product was analyzed by 1H NMR (300 MHz, DMSO-d6): δ 5.43-5.35 (m, 2H), 5.35-5.23 (m, 3H); 13C NMR (300 MHz, DMSO-d6): δ 163.57, 114.17, 9.88, 78.66, 78.53; IR (KBr): 2219 cm-1 ; elemental analysis (C5H5NO) calculated values: C, 63.15; H, 5.30; N, 14.73; measured values: C, 63.00; H, 5.36; N, 14.44.

References

[1] Patent: WO2010/14930, 2010, A2. Location in patent: Page/Page column 63
[2] Patent: WO2014/184163, 2014, A1. Location in patent: Page/Page column 180
[3] European Journal of Organic Chemistry, 2017, vol. 2017, # 31, p. 4530 - 4542

2-(Oxetan-3-ylidene)acetonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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2-(Oxetan-3-ylidene)acetonitrile Suppliers

China 65 India 1 United Kingdom 2 United States 7 Global 75
Aladdin Scientific
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Synthonix Inc
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SynQuest Laboratories, Inc.
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Matrix Scientific
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Proactive Molecular Research
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Focus Synthesis LLC
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1123787-67-6, 2-(Oxetan-3-ylidene)acetonitrileRelated Search:


  • 1-(Oxetan-3-ylidene)acetonitrile
  • 2-(3-Oxetanylidene)acetonitrile
  • 2-(Oxetan-3-ylidene)acetonitrile
  • Acetonitrile, 2-(3-oxetanylidene)-
  • 2-(3-Oxetanylidene)acetonitrile 95%
  • 2-(oxetan-3-ylidene)acetonitrile - [X6646]
  • 1123787-67-6