ChemicalBook > CAS DataBase List > 4-Cyano-3-methylBenzoic acid methyl ester

4-Cyano-3-methylBenzoic acid methyl ester

Product Name: 4-Cyano-3-methylBenzoic acid methyl ester
CAS No.: 25978-68-1
Chemical Name: 4-Cyano-3-methylBenzoic acid methyl ester
Synonyms: Methyl 4-cyano-3-methylbenzoate;4-Cyano-3-methylBenzoic acid methyl ester;Benzoic acid, 4-cyano-3-methyl-, methyl ester;4-cyano-3-methyl-Benzoic acid methyl ester (9CI ACI);Benzoic acid, 4-cyano-3-methyl-, methyl ester (9CI, ACI)
CBNumber: CB42473824
Molecular Formula: C10H9NO2
Formula Weight: 175.18
MOL File: 25978-68-1.mol

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4-Cyano-3-methylBenzoic acid methyl ester Property

Boiling point:: 311.8±30.0 °C(Predicted)
Density: 1.15
storage temp.: Sealed in dry,Room Temperature
Appearance: Off-white to brown 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: M339918
Product name: Methyl4-Cyano-3-methylbenzoate
Packaging: 100mg
Price: $75
Updated: 2021/12/16

Matrix Scientific

Product number: 126473
Product name: Methyl4-cyano-3-methylbenzoate
Purity: >95%
Packaging: 1g
Price: $98
Updated: 2021/12/16

Apolloscientific

Product number: OR907902
Product name: methyl4-cyano-3-methylbenzoate
Purity: 95%
Packaging: 1g
Price: $160
Updated: 2021/12/16

AK Scientific

Product number: W4931
Product name: Methyl4-cyano-3-methylbenzoate
Packaging: 5g
Price: $203
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0393163
Product name: METHYL-4-CYANO-3-METHYLBENZOATE
Purity: 95.00%
Packaging: 5MG
Price: $503.38
Updated: 2021/12/16

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4-Cyano-3-methylBenzoic acid methyl ester Chemical Properties,Usage,Production

Synthesis

557-21-1

148547-19-7

25978-68-1

11A: Synthesis of methyl 4-bromo-3-methylbenzoate Zinc cyanide (6.2 g, 52 mmol) and tetrakis(triphenylphosphine)palladium(0) (4 g, 3 mmol) were added to a solution of methyl 4-bromo-3-methylbenzoate (20 g, 87 mmol) in DMF (100 mL). The reaction mixture was stirred at 120 °C for 4 hours. After completion of the reaction, the mixture was cooled to room temperature, diluted with EtOAc (700 mL) and washed sequentially with water and brine. The organic layer was dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure. Purification by fast column chromatography (silica gel, eluent ratio 1:3 EtOAc:hexane) afforded methyl 4-cyano-3-methylbenzoate (12.3 g, 39.8% yield) as a white solid.1H NMR (400 MHz, CDCl3) δ 2.59 (s, 3H), 3.93 (s, 3H), 7.66 (d, J=8.0 Hz. 1H), 7.90 (d, J=8.0Hz, 1H), 7.97 (s, 1H).

References

[1] Patent: US2007/270438, 2007, A1. Location in patent: Page/Page column 42
[2] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 14, p. 3679 - 3683
[3] Patent: WO2007/79186, 2007, A2. Location in patent: Page/Page column 59

4-Cyano-3-methylBenzoic acid methyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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4-Cyano-3-methylBenzoic acid methyl ester

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25978-68-1