4-Cyanotetrahydro-4H-pyran
- Product Name
- 4-Cyanotetrahydro-4H-pyran
- CAS No.
- 4295-99-2
- Chemical Name
- 4-Cyanotetrahydro-4H-pyran
- Synonyms
- oxane-4-carbonitrile;4-cyanotetrahydropiran;4-Cyanotetrahydropyran;4-CYANOTETRAHYDRO-4H-PYRAN;Tetrahydro-pyran-4-carbonitrile;2H-Pyran-4-carbonitrile, tetrahydro-;4-Cyanotetrahydro-4H-pyran manufacturer;4-Cyanotetrahydro-4H-pyran ISO 9001：2015 REACH;tetrahydro-2H-pyran-4-carbonitrile(SALTDATA: FREE)
- CBNumber
- CB72130027
- Molecular Formula
- C6H9NO
- Formula Weight
- 111.14
- MOL File
- 4295-99-2.mol
4-Cyanotetrahydro-4H-pyran Property
- Boiling point:
- 82-83 °C(Press: 10 Torr)
- Density
- 1.0343 g/cm3
- refractive index
- 1.4521
- storage temp.
- 2-8°C
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
- InChIKey
- RLZJFTOYCVIYLE-UHFFFAOYSA-N
- SMILES
- C1OCCC(C#N)C1
Safety
- RIDADR
- UN2811
- HazardClass
- IRRITANT
- HS Code
- 2932990090
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.
N-Bromosuccinimide Price
- Product number
- P991935
- Product name
- Tetrahydro-2H-pyran-4-carbonitrile
- Packaging
- 500mg
- Price
- $40
- Updated
- 2021/12/16
- Product number
- P000155538
- Product name
- 4-Cyanotetrahydro-4H-pyran
- Purity
- 98%
- Packaging
- 25g
- Price
- $40
- Updated
- 2021/12/16
- Product number
- P000155538
- Product name
- 4-Cyanotetrahydro-4H-pyran
- Purity
- 98%
- Packaging
- 10g
- Price
- $25
- Updated
- 2021/12/16
- Product number
- 037094
- Product name
- Tetrahydro-2H-pyran-4-carbonitrile
- Packaging
- 5g
- Price
- $25
- Updated
- 2021/12/16
- Product number
- P000155538
- Product name
- 4-Cyanotetrahydro-4H-pyran
- Purity
- 98%
- Packaging
- 1g
- Price
- $6
- Updated
- 2021/12/16
4-Cyanotetrahydro-4H-pyran Chemical Properties,Usage,Production
Uses
Tetrahydro-2H-Pyran-4-Carbonitrile is used in preparation of substituted Amide compounds as farnesoid X receptor modulators.
Synthesis
344329-76-6
4295-99-2
The general procedure for the synthesis of 4-cyanotetrahydropyran from tetrahydropyran-4-carboxamide was as follows: thionyl chloride (10.0 mL, 137 mmol) was slowly added to tetrahydropyran-4-carboxamide (3.0 g, 23 mmol), and the reaction mixture was stirred under reflux for 4 hr. Upon completion of the reaction, the mixture was carefully decanted onto ice and the pH was adjusted with 50% sodium hydroxide solution to 14. Subsequently, the aqueous phase was extracted with ethyl acetate (3 x 50 mL), the organic phases were combined and dried over anhydrous sodium sulfate. The organic phase was concentrated under reduced pressure to give a light yellow oily product (2.4 g, 94% yield) which did not require further purification. The structure of the product was confirmed by the following characterization data: IR (νmax, cm-1 ): 2961, 2932, 2851, 2240, 1468, 1446, 1390, 1242, 1125, 1066, 1011; 1H NMR (500 MHz, CDCl3): δ 3.91 (2H, ddd, J = 11.9, 6.3, 3.6 Hz, 2 × 3.6 Hz, 2 × 3.6 Hz, 2 × 3.9, 6.3, 3.6 Hz, 2 × 3.6 Hz). 3.6 Hz, 2×2-HA), 3.61 (2H, ddd, J = 11.9, 7.8, 3.3 Hz, 2×2-HB), 2.91-2.85 (1H, m, 4-H), 1.99-1.92 (2H, m, 2×3-HA), 1.91-1.84 (2H, m, 2×3-HB); 13C NMR (75 MHz, CDCl3): δ 121.2, 65.6, 28.9, 25.3; HRMS (ESI+): calculated value C6H10NO ([M+H]+): 112.0756, measured value: 112.0754, Δ -1.8 ppm.
References
[1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 11, p. 2629 - 2635
[2] Patent: US2007/111984, 2007, A1. Location in patent: Page/Page column 45
[3] Journal of the American Chemical Society, 1943, vol. 65, p. 370
[4] Patent: US2009/253679, 2009, A1. Location in patent: Page/Page column 54-55
4-Cyanotetrahydro-4H-pyran Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-Cyanotetrahydro-4H-pyran manufacturers
- Product
- 4-Cyanotetrahydro-4H-pyran 4295-99-2
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 98%min
- Supply Ability
- 30tons/month
- Release date
- 2023-02-22
- Product
- 4-Cyanotetrahydro-4H-pyran 4295-99-2
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-29
- Product
- 4-Cyanotetrahydro-4H-pyran 4295-99-2
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.00%
- Supply Ability
- 100 Tons Min
- Release date
- 2021-10-29