ChemicalBook > CAS DataBase List > 3-(2-Cyanopropan-2-yl)benzoic acid

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

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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

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Safety

HS Code: 2926907090

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC

Product number: C994238
Product name: 3-(2-Cyanopropan-2-yl)benzoicacid
Packaging: 100mg
Price: $45
Updated: 2021/12/16

AK Scientific

Product number: Z5230
Product name: 3-(2-Cyanopropan-2-yl)benzoicacid
Packaging: 100mg
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Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC140019
Product name: 3-(2-Cyanopropan-2-yl)benzoic acid
Packaging: 500mg
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Updated: 2021/12/16

Matrix Scientific

Product number: 119668
Product name: 3-(2-Cyanopropan-2-yl)benzoic acid
Purity: 95+%
Packaging: 250mg
Price: $144
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC140019
Product name: 3-(2-Cyanopropan-2-yl)benzoic acid
Packaging: 1g
Price: $145
Updated: 2021/12/16

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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

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872091-00-4, 3-(2-Cyanopropan-2-yl)benzoic acidRelated Search:

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3-(2-Cyanopropan-2-yl)benzoic acid

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872091-00-4

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