3-(2-Cyanopropan-2-yl)benzoic acid
- Product Name
- 3-(2-Cyanopropan-2-yl)benzoic acid
- CAS No.
- 872091-00-4
- Chemical Name
- 3-(2-Cyanopropan-2-yl)benzoic acid
- Synonyms
- Ketoprofen Impurity 25;Ketoprofen Impurity 43;Pyrroloquinoline Impurity 10;3-(2-Cyano-2-propyl)benzoic Acid;3-(2-Cyanopropan-2-yl)benzoic acid;3-(1-Cyano-1-methylethyl)benzoic acid;Benzoic acid, 3-(1-cyano-1-Methylethyl)-
- CBNumber
- CB72640823
- Molecular Formula
- C11H11NO2
- Formula Weight
- 189.21
- MOL File
- 872091-00-4.mol
3-(2-Cyanopropan-2-yl)benzoic acid Property
- Boiling point:
- 360.0±25.0 °C(Predicted)
- Density
- 1.167±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.03±0.10(Predicted)
- Appearance
- White to off-white Solid
Safety
- HS Code
- 2926907090
N-Bromosuccinimide Price
- Product number
- C994238
- Product name
- 3-(2-Cyanopropan-2-yl)benzoicacid
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- Z5230
- Product name
- 3-(2-Cyanopropan-2-yl)benzoicacid
- Packaging
- 100mg
- Price
- $80
- Updated
- 2021/12/16
- Product number
- FC140019
- Product name
- 3-(2-Cyanopropan-2-yl)benzoic acid
- Packaging
- 500mg
- Price
- $85
- Updated
- 2021/12/16
- Product number
- 119668
- Product name
- 3-(2-Cyanopropan-2-yl)benzoic acid
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $144
- Updated
- 2021/12/16
- Product number
- FC140019
- Product name
- 3-(2-Cyanopropan-2-yl)benzoic acid
- Packaging
- 1g
- Price
- $145
- Updated
- 2021/12/16
3-(2-Cyanopropan-2-yl)benzoic acid Chemical Properties,Usage,Production
Synthesis
872091-85-5
872091-00-4
Preparation of 3-(2-cyanopropyl)benzoic acid: Methyl 3-(2-cyanopropan-2-yl)benzoate (1.0 g, 4.9 mmol) was stirred with LiOH-H2O (4 g, 9.8 mmol) in a solvent mixture of THF/H2O/MeOH (3/1/1, 15 mL) for 18 h at room temperature. Upon completion of the reaction, the reaction mixture was concentrated in vacuum and the resulting solution was acidified with concentrated hydrochloric acid to pH 2. The product was collected by filtration to afford 3-(2-cyanopropan-2-yl)benzoic acid (quantitative yield) as a yellow solid. Mass spectrometry (negative ion mode): m/z = 188.3 (calculated value C11H11NO2, 189.2). The product can be used in subsequent reactions without further purification.
References
[1] Patent: US2009/270394, 2009, A1. Location in patent: Page/Page column 12
[2] Patent: EP2181987, 2010, A1. Location in patent: Page/Page column 72; 111; 115
[3] Journal of Medicinal Chemistry, 2012, vol. 55, # 7, p. 3452 - 3478
[4] Patent: WO2006/67446, 2006, A1. Location in patent: Page/Page column 128
[5] Patent: WO2006/79791, 2006, A1. Location in patent: Page/Page column 35
3-(2-Cyanopropan-2-yl)benzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
3-(2-Cyanopropan-2-yl)benzoic acid Suppliers
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- Country
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