3-CYANOPROPANOIC ACID
- Product Name
- 3-CYANOPROPANOIC ACID
- CAS No.
- 16051-87-9
- Chemical Name
- 3-CYANOPROPANOIC ACID
- Synonyms
- NSC 97378;2-Cyanopropionic acid;2-Cyanopropanoic acid;3-CYANOPROPIONIC ACID;3-CYANOPROPANOIC ACID;Propanoic acid,3-cyano-;beta-Cyanopropionic acid;α-Methylcyanoacetic acid
- CBNumber
- CB0301943
- Molecular Formula
- C4H5NO2
- Formula Weight
- 99.09
- MOL File
- 16051-87-9.mol
3-CYANOPROPANOIC ACID Property
- Melting point:
- 49.5-51.0℃
- Boiling point:
- 113-115 °C(Press: 3 Torr)
- Density
- 1.200±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- form
- solid
- pka
- pK1:3.99 (25°C)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C4H5NO2/c5-3-1-2-4(6)7/h1-2H2,(H,6,7)
- InChIKey
- BXYQHDXDCJQOFD-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCC#N
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
- C987873
- Product name
- 3-Cyanopropanoicacid
- Packaging
- 500mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- C987873
- Product name
- 3-Cyanopropanoicacid
- Packaging
- 2.5g
- Price
- $175
- Updated
- 2021/12/16
- Product number
- FC139540
- Product name
- 3-Cyanopropanoic acid
- Packaging
- 250mg
- Price
- $57.5
- Updated
- 2021/12/16
- Product number
- FC139540
- Product name
- 3-Cyanopropanoic acid
- Packaging
- 500mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- W3483
- Product name
- 3-Cyanopropanoicacid
- Packaging
- 1g
- Price
- $123
- Updated
- 2021/12/16
3-CYANOPROPANOIC ACID Chemical Properties,Usage,Production
Synthesis Reference(s)
Journal of Heterocyclic Chemistry, 4, p. 533, 1967 DOI: 10.1002/jhet.5570040413
Synthesis
590-92-1
773837-37-9
16051-87-9
GENERAL STEPS: 3-Bromopropionic acid (1.00 g, 6.6 mmol) was dissolved in EtOH/DMF (30 mL/15 mL) mixed solvent, and NaCN (0.96 g, 19.6 mmol) was added. The reaction mixture was heated to reflux for 15 hours. The reaction progress was monitored by TLC and after confirming the complete consumption of the raw material, the solvent was removed by distillation under reduced pressure. The resulting crude product was poured into ice water (70 mL) and the pH was adjusted to 1 with 3M HCl solution, followed by extraction with EtOAc (3 x 50 mL). The organic layers were combined, dried with anhydrous Na2SO4, filtered and concentrated to dryness under reduced pressure. Purification by fast column chromatography (eluent: CH3CN/H2O, 1/1) afforded the target product 3-cyanopropionic acid (0.35 g, 3.55 mmol, 54% yield) as a colorless solid. rf = 0.60 (CH3CN/H2O: 1/1).1H NMR (300 MHz, CDCl3): δ (ppm) = 2.64 (2H, t. J = 6.5 Hz, CH2-CN), 2.73 (2H, t, J = 6.5 Hz, CH2-CO), 9.63 (1H, br s, COOH).13C NMR (75 MHz, CDCl3): δ (ppm) = 12.8, 29.8, 118.8, 175.6.
References
[1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 6, p. 1643 - 1647
3-CYANOPROPANOIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-CYANOPROPANOIC ACID manufacturers
- Product
- 3-CYANOPROPANOIC ACID 16051-87-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 1000KGS
- Release date
- 2019-12-18