ChemicalBook > CAS DataBase List > 3-CYANOPROPANOIC ACID

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

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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

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Safety

Hazard Codes: Xi
Risk Statements: 36
Safety Statements: 26

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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: C987873
Product name: 3-Cyanopropanoicacid
Packaging: 500mg
Price: $55
Updated: 2021/12/16

TRC

Product number: C987873
Product name: 3-Cyanopropanoicacid
Packaging: 2.5g
Price: $175
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC139540
Product name: 3-Cyanopropanoic acid
Packaging: 250mg
Price: $57.5
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC139540
Product name: 3-Cyanopropanoic acid
Packaging: 500mg
Price: $90
Updated: 2021/12/16

AK Scientific

Product number: W3483
Product name: 3-Cyanopropanoicacid
Packaging: 1g
Price: $123
Updated: 2021/12/16

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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

Career Henan Chemical Co

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

16051-87-9, 3-CYANOPROPANOIC ACIDRelated Search:

BETA-CYANO-L-ALANINE ETHYL-3-CYANO-3-PHENYLPYRUVATE 97 3-Cyanopropanoic acid methyl ester Ethyl 2-cyanopropanoate BOC-BETA-CYANO-ALA-OH 3-CYANOPROPANOIC ACID METHYL 3-AMINO-1-CYANO-1-PHENYL-1H-INDENE-2-CARBOXYLATE DIETHYL 2-CYANO-3-OXOSUCCINATE BOC-BETA-CYANO-D-ALA-OH H-GLY-GLU-PNA METHYL 3-AMINO-1-CYANO-4-FLUORO-1-PHENYL-1H-INDENE-2-CARBOXYLATE 2-Cyanopropanoic acid methyl ester 3-(4-BROMOPHENYL)-3-CYANOPROPANOIC ACID 3-(4-CHLOROPHENYL)-3-CYANOPROPANOIC ACID 3-Cyanopropanoic acid ethyl ester METHYL 3-CYANO-3-(2-CYANO-3-FLUOROPHENYL)-3-PHENYLPROPANOATE METHYL 3-AMINO-1-(4-CHLOROPHENYL)-1-CYANO-4-FLUORO-1H-INDENE-2-CARBOXYLATE METHYL 3-AMINO-1-CYANO-4-FLUORO-1-(1-METHYL-1H-PYRROL-2-YL)-1H-INDENE-2-CARBOXYLATE

3-CYANOPROPANOIC ACID

3-CYANOPROPIONIC ACID

2-Cyanopropanoic acid

2-Cyanopropionic acid

α-Methylcyanoacetic acid

beta-Cyanopropionic acid

NSC 97378

Propanoic acid,3-cyano-

16051-87-9

pharmacetical