ChemicalBook > CAS DataBase List > 3-OXO-CYCLOBUTANECARBONITRILE

3-OXO-CYCLOBUTANECARBONITRILE

Uses

Product Name: 3-OXO-CYCLOBUTANECARBONITRILE
CAS No.: 20249-16-5
Chemical Name: 3-OXO-CYCLOBUTANECARBONITRILE
Synonyms: 3-oxocyclobutane-1-carbonitrile;3-Oxo-cyclobutanecarbonit...;3-OXO-CYCLOBUTANECARBONITRILE;Cyclobutanecarbonitrile, 3-oxo-
CBNumber: CB21502598
Molecular Formula: C5H5NO
Formula Weight: 95.1
MOL File: 20249-16-5.mol

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3-OXO-CYCLOBUTANECARBONITRILE Property

Boiling point:: 249℃
Density: 1.13
Flash point:: 105℃
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Off-white to light brown Solid
InChI: InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2
InChIKey: MSAGLWTVMUDVDT-UHFFFAOYSA-N
SMILES: C1(C#N)CC(=O)C1
CAS DataBase Reference: 20249-16-5

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Safety

HS Code: 2926907090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

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

TRC

Product number: O990048
Product name: 3-Oxocyclobutanecarbonitrile
Packaging: 60mg
Price: $60
Updated: 2021/12/16

AK Scientific

Product number: Z4386
Product name: 3-Oxocyclobutanecarbonitrile
Packaging: 250mg
Price: $84
Updated: 2021/12/16

Matrix Scientific

Product number: 112484
Product name: 3-Oxo-cyclobutanecarbonitrile
Packaging: 1g
Price: $98
Updated: 2021/12/16

AK Scientific

Product number: Z4386
Product name: 3-Oxocyclobutanecarbonitrile
Packaging: 1g
Price: $99
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4237-1-01
Product name: 3-Oxocyclobutanecarbonitrile
Purity: 95%
Packaging: 1g
Price: $125
Updated: 2021/12/16

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3-OXO-CYCLOBUTANECARBONITRILE Chemical Properties,Usage,Production

Uses

3-Oxocyclobutyronitrile is an organic compound commonly used as a pharmaceutical intermediate. It can be prepared by oxidation of 3-methylenecyclobutyronitrile, and the oxidants that can be used are sodium periodate and ozone.

Synthesis

15760-35-7

20249-16-5

Example 37b Synthesis of 3-oxocyclobutanecarbonitrile: Sodium meta-periodate (284 g, 1.32 mol) was added in small batches (over 30-45 min) to 3-methylenecyclobutanecarbonitrile (30 g, 370 mmol) and ruthenium trichloride monohydrate (2.2 mol%, 1.5 g, 7.23 mmol) at 5 °C in a DCM-MeCN-water ( 645mL:645mL:945mL) in a solvent mixture. The reaction mixture was stirred vigorously at room temperature. Subsequently, the organic phase was separated and the aqueous phase was extracted with DCM (3 x 1500 mL). The combined organic extracts were filtered through a small pad of fast silica gel, and the silica gel pad was washed with 2000 mL of DCM. The filtrate was dried over MgSO4, filtered and concentrated under reduced pressure to give 3-oxocyclobutanecarbonitrile (28 g, 100%). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 3.27 (quin, 1H), 3.57 (d, 4H).

References

[1] Patent: US2012/122843, 2012, A1. Location in patent: Page/Page column 39
[2] Patent: WO2015/179190, 2015, A1. Location in patent: Paragraph 0331
[3] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 13, p. 3947 - 3953
[4] Patent: US2014/80803, 2014, A1. Location in patent: Paragraph 1262
[5] Journal of Medicinal Chemistry, 2016, vol. 59, # 10, p. 4926 - 4947

3-OXO-CYCLOBUTANECARBONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-OXO-CYCLOBUTANECARBONITRILE manufacturers

Career Henan Chemical Co

Product: 3-OXO-CYCLOBUTANECARBONITRILE 20249-16-5
Price: US $5.50/KG
Min. Order: 1KG
Purity: 98%min
Supply Ability: 1kg-100kg
Release date: 2020-01-08

20249-16-5, 3-OXO-CYCLOBUTANECARBONITRILERelated Search:

ETHYLENE OXIDE 3-OXO-CYCLOBUTANECARBONITRILE Cyclobutanone 1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile 1-(4-CHLOROPHENYL)CYCLOBUTANONE CARBONITRILE

3-OXO-CYCLOBUTANECARBONITRILE

3-oxocyclobutane-1-carbonitrile

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20249-16-5