ChemicalBook > CAS DataBase List > methyl 2-cyano-4-fluorobenzoate
methyl 2-cyano-4-fluorobenzoate
- Product Name
- methyl 2-cyano-4-fluorobenzoate
- CAS No.
- 127510-96-7
- Chemical Name
- methyl 2-cyano-4-fluorobenzoate
- Synonyms
- methyl 2-cyano;methyl 2-cyano-4-fluorobenzoate;2-Cyano-4-fluorobenzoic acid methy ester;2-Cyano-4-fluorobenzoic acid methyl ester;BENZOIC ACID, 2-CYANO-4-FLUORO-, METHYL ESTER
- CBNumber
- CB12525447
- Molecular Formula
- C9H6FNO2
- Formula Weight
- 179.15
- MOL File
- 127510-96-7.mol
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methyl 2-cyano-4-fluorobenzoate Property
- Melting point:
- 104-106 °C
- Boiling point:
- 293.3±25.0 °C(Predicted)
- Density
- 1.27±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C9H6FNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3
- InChIKey
- BCYCPVRVZPDHEC-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(F)C=C1C#N
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Safety
- HS Code
- 2916399090
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N-Bromosuccinimide Price
TRC
- Product number
- B495055
- Product name
- Methyl2-Cyano-4-fluorobenzoate
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 131537
- Product name
- Methyl2-cyano-4-fluorobenzoate
- Purity
- 97%
- Packaging
- 25g
- Price
- $1318
- Updated
- 2021/12/16
AK Scientific
- Product number
- 5348AA
- Product name
- Methyl2-cyano-4-fluorobenzoate
- Packaging
- 1g
- Price
- $91
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 131537
- Product name
- Methyl2-cyano-4-fluorobenzoate
- Purity
- 97%
- Packaging
- 5g
- Price
- $440
- Updated
- 2021/12/16
Apolloscientific
- Product number
- PC903820
- Product name
- Methyl2-cyano-4-fluorobenzoate
- Purity
- 97%
- Packaging
- 25g
- Price
- $456
- Updated
- 2021/12/16
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methyl 2-cyano-4-fluorobenzoate Chemical Properties,Usage,Production
Synthesis
85953-29-3
127510-96-7
The general procedure for the synthesis of methyl 2-cyano-4-fluorobenzoate from methyl 2-chloro-4-fluorobenzoate is as follows: Example 123a Synthesis of methyl 2-cyano-4-fluorobenzoate Step A: In a 100-mL single-necked round-bottomed flask equipped with a magnetic stirrer, methyl 2-chloro-4-fluorobenzoate (10.0 g, 53.0 mmol), copper(I) cyanide (5.22 g, 58.3 mmol), and 2-methylpyrrolidone (30 mL) were added after purging with nitrogen. The reaction mixture was heated at 195 °C for 1.5 h, then cooled to room temperature and poured into water (600 mL). The resulting suspension was filtered and the filter cake was washed with water (100 mL). Subsequently, a solution of sodium cyanide (3.00 g, 61.2 mmol) in water (110 mL) was added to the resulting solid and stirred at room temperature for 50 minutes. After that, ethyl acetate (500 mL) was added and the layers were separated. The aqueous phase was extracted with ethyl acetate (2 x 10 mL), the organic extracts were combined, dried over sodium sulfate, filtered and concentrated under reduced pressure. The resulting residue was purified by fast chromatography to afford the target product methyl 2-cyano-4-fluorobenzoate (123a) in 73% yield (6.99 g) as a white solid with a melting point of 92-93 °C; 1H NMR (500 MHz, CDCl3) δ 8.18 (dd, 1H, J = 9.0, 5.5 Hz), 7.50 (dd, 1H, J = 8.0, 2.5 Hz), 7.38 (m, 1H), 4.01 (s, 3H).
References
[1] Patent: WO2012/31004, 2012, A1. Location in patent: Page/Page column 113-114
methyl 2-cyano-4-fluorobenzoate Preparation Products And Raw materials
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