ChemicalBook > CAS DataBase List > 4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER

4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER

Product Name: 4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER
CAS No.: 27883-60-9
Chemical Name: 4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER
Synonyms: 4-hydroxy-5-methoxy-2-nitrobenzoic acid;Methyl 4-hydroxy-5-Methoxy-2-nitrobenzoate;4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER;Benzoic acid, 4-hydroxy-5-methoxy-2-nitro-, methyl ester
CBNumber: CB81010655
Molecular Formula: C9H9NO6
Formula Weight: 227.17
MOL File: Mol file

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4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER Property

Boiling point:: 389.2±42.0 °C(Predicted)
Density: 1.405±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 6.63±0.24(Predicted)
Appearance: Brown to reddish brown Solid
InChI: InChI=1S/C9H9NO6/c1-15-8-3-5(9(12)16-2)6(10(13)14)4-7(8)11/h3-4,11H,1-2H3
InChIKey: SKKNLIAUOSEGNQ-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC(OC)=C(O)C=C1[N+]([O-])=O

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Safety

HazardClass: IRRITANT
HS Code: 2916310090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

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N-Bromosuccinimide Price

TRC

Product number: M780513
Product name: Methyl4-hydroxy-5-methoxy-2-nitrobenzoate
Packaging: 10mg
Price: $45
Updated: 2021/12/16

Matrix Scientific

Product number: 059091
Product name: 4-Hydroxy-5-methoxy-2-nitro-benzoic acid methylester
Purity: 90%+
Packaging: 5g
Price: $435
Updated: 2021/12/16

Matrix Scientific

Product number: 059091
Product name: 4-Hydroxy-5-methoxy-2-nitro-benzoic acid methylester
Purity: 90%+
Packaging: 1g
Price: $145
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4654-1-7A
Product name: 4-Hydroxy-5-methoxy-2-nitrobenzoic acid methyl ester
Packaging: 1g
Price: $168
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4654-1-7A
Product name: 4-Hydroxy-5-methoxy-2-nitrobenzoic acid methyl ester
Packaging: 5G
Price: $524
Updated: 2021/12/16

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4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER Chemical Properties,Usage,Production

Synthesis

61032-41-5

27883-60-9

General procedure for the synthesis of methyl 4-hydroxy-5-methoxy-2-nitrobenzoate from methyl 4-benzyloxy-5-methoxy-2-nitrobenzoate: Methyl 2-nitro-4-benzyloxy-5-methoxybenzoate (4.1 mmol, 1.3 g) was dissolved in trifluoroacetic acid (8 mL), and the reaction was carried out at reflux for 1 hour. Upon completion of the reaction, trifluoroacetic acid was removed by decantation and the reaction mixture was extracted with water and ethyl acetate. The organic phases were combined, concentrated and purified by column chromatography to give 0.796 g methyl 2-nitro-4-hydroxy-5-methoxybenzoate in 86% yield.

References

[1] Patent: CN105884699, 2016, A. Location in patent: Paragraph 0064; 0065
[2] Patent: WO2016/148674, 2016, A1. Location in patent: Page/Page column 114
[3] Bioorganic and medicinal chemistry, 2004, vol. 12, # 16, p. 4337 - 4350
[4] Journal of Medicinal Chemistry, 2018, vol. 61, # 15, p. 6518 - 6545
[5] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 20, p. 2989 - 2992

4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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27883-60-9, 4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTERRelated Search:

4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER

Methyl 4-hydroxy-5-Methoxy-2-nitrobenzoate

4-hydroxy-5-methoxy-2-nitrobenzoic acid

Benzoic acid, 4-hydroxy-5-methoxy-2-nitro-, methyl ester

27883-60-9