methyl 3-nitro-5-(trifluoromethyl)benzoate

Product Name: methyl 3-nitro-5-(trifluoromethyl)benzoate
CAS No.: 22227-63-0
Chemical Name: methyl 3-nitro-5-(trifluoromethyl)benzoate
Synonyms: methyl 3-nitro-5-(trifluoromethyl)benzoate;3-Nitro-5-trifluoromethyl-benzoic acid methyl ester;Benzoic acid, 3-nitro-5-(trifluoromethyl)-, methyl ester
CBNumber: CB31561309
Molecular Formula: C9H6F3NO4
Formula Weight: 249.14
MOL File: 22227-63-0.mol

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methyl 3-nitro-5-(trifluoromethyl)benzoate Property

Boiling point:: 283.2±40.0 °C(Predicted)
Density: 1.442±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Appearance: Light yellow to yellow Solid

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Safety

HS Code: 2916399090

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC

Product number: M339478
Product name: Methyl3-Nitro-5-(trifluoromethyl)benzoate
Packaging: 100mg
Price: $60
Updated: 2021/12/16

AK Scientific

Product number: 1253AB
Product name: Methyl3-nitro-5-(trifluoromethyl)benzoate
Packaging: 1g
Price: $85
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4854-3-0F
Product name: Methyl 3-nitro-5-(trifluoromethyl)benzoate
Packaging: 1g
Price: $184
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0044099
Product name: METHYL 3-NITRO-5-(TRIFLUOROMETHYL)BENZOATE
Purity: 95.00%
Packaging: 5MG
Price: $498.99
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4854-3-0F
Product name: Methyl 3-nitro-5-(trifluoromethyl)benzoate
Packaging: 5G
Price: $504
Updated: 2021/12/16

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methyl 3-nitro-5-(trifluoromethyl)benzoate Chemical Properties,Usage,Production

Synthesis

67-56-1

328-80-3

22227-63-0

3-Nitro-5-(trifluoromethyl)benzoic acid (1 g, 4.25 mmol) was dissolved in methanol (15 mL) and concentrated sulfuric acid (5 drops) was added as a catalyst. The reaction mixture was heated to reflux for 48 hours. After completion of the reaction, methanol was removed by distillation under reduced pressure. The residue was dissolved in ethyl acetate (20 mL) and washed sequentially with 5% sodium carbonate solution (3 x 20 mL) and saturated saline (20 mL). The organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure to afford methyl 3-nitro-5-trifluoromethylbenzoate without further purification. The yield was 87% and the product was a colorless oil.1H NMR (500 MHz, CDCl3) δ 9.05 (t, J = 1.8 Hz, 1H), 8.68 (t, J = 1.8 Hz, 1H), 8.63 (s, 1H), 4.05 (s, 3H). 13C NMR (126 MHz, CDCl3) δ 163.62, 148.47, 133.16, 132.83 (q, J = 34.7 Hz), 131.87 (q, J = 3.5 Hz), 127.50, 124.42 (q, J = 3.8 Hz), 122.37 (q, J = 273.2 Hz), 53.26.

References

[1] Patent: WO2012/37132, 2012, A1. Location in patent: Page/Page column 47
[2] Patent: US2012/71489, 2012, A1. Location in patent: Page/Page column 59
[3] Patent: WO2017/125530, 2017, A1. Location in patent: Page/Page column 283
[4] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 12, p. 4158 - 4181
[5] Patent: WO2014/141187, 2014, A1. Location in patent: Page/Page column 119

methyl 3-nitro-5-(trifluoromethyl)benzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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methyl 3-nitro-5-(trifluoromethyl)benzoate

3-Nitro-5-trifluoromethyl-benzoic acid methyl ester

Benzoic acid, 3-nitro-5-(trifluoromethyl)-, methyl ester

22227-63-0