METHYL 3-ACETYL-4-HYDROXYBENZOATE

Product Name: METHYL 3-ACETYL-4-HYDROXYBENZOATE
CAS No.: 57009-12-8
Chemical Name: METHYL 3-ACETYL-4-HYDROXYBENZOATE
Synonyms: EOS-61538;Aspirin Impurity 13;Methyl-3-acethyl-4-hdyroxy benzoate;Methanone,[6-(bromomethyl)phenyl]phenyl-;3-Acetyl-4-hydroxybenzoic acid methyl ester;Benzoic acid, 3-acetyl-4-hydroxy-, methyl ester
CBNumber: CB71484820
Molecular Formula: C10H10O4
Formula Weight: 194.18
MOL File: 57009-12-8.mol

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METHYL 3-ACETYL-4-HYDROXYBENZOATE Property

Melting point:: 98 °C
Boiling point:: 331.5±27.0 °C(Predicted)
Density: 1.234±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 8.55±0.18(Predicted)
Appearance: Light yellow to yellow Solid

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H318Causes serious eye damage

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: M293228
Product name: Methyl3-Acetyl-4-hydroxybenzoate
Packaging: 250mg
Price: $90
Updated: 2021/12/16

AK Scientific

Product number: Y9509
Product name: Methyl3-acetyl-4-hydroxybenzoate
Packaging: 250mg
Price: $63
Updated: 2021/12/16

AK Scientific

Product number: Y9509
Product name: Methyl3-acetyl-4-hydroxybenzoate
Packaging: 1g
Price: $157
Updated: 2021/12/16

Matrix Scientific

Product number: 187975
Product name: Methyl 3-acetyl-4-hydroxybenzoate
Packaging: 1g
Price: $180
Updated: 2021/12/16

AK Scientific

Product number: Y9509
Product name: Methyl3-acetyl-4-hydroxybenzoate
Packaging: 5g
Price: $475
Updated: 2021/12/16

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METHYL 3-ACETYL-4-HYDROXYBENZOATE Chemical Properties,Usage,Production

Uses

Methyl 3-Acetyl-4-hydroxybenzoate is used to prepare and study structure-activity relationships of 2-(1-adamantyl)-4-(thio)chromenone-6-carboxylic acids as potent reversible inhibitors of human steroid sulfatase.

Synthesis

111-34-2

29415-97-2

57009-12-8

Step 2: To a degassed ethanol (3 L) solution of methyl 3-bromo-4-hydroxybenzoate (350 g, 1514.87 mmol) under nitrogen protection were sequentially added triethylamine (0.528 L, 3787.17 mmol), 1-(vinyloxy)butane (0.588 L, 4544.60 mmol), 1,1 '-bis(diphenylphosphino) ferrocene (33.1 g, 60.6 mmol) and diacetoxypalladium (8.50 g, 37.9 mmol). The reaction mixture was stirred at 70 °C overnight. After completion of the reaction, the mixture was cooled to room temperature, filtered and the filtrate was concentrated. The resulting solid was dissolved with dichloromethane (2 L), followed by the slow addition of 4 N hydrochloric acid (1.14 L, 4544 mmol) under stirring. After continued stirring for 2 h, the organic phase was separated, dried with anhydrous magnesium sulfate, filtered and concentrated to give the crude product. The crude product was dissolved in ether (5 L), stirred for 2 h, filtered, and the filtrate was concentrated to dryness to give methyl 3-acetyl-4-hydroxybenzoate (240 g, 82% yield) as a beige powder. Mass spectral data: [MH]- 193.

References

[1] Patent: US2011/98271, 2011, A1. Location in patent: Page/Page column 39
[2] Patent: WO2011/51704, 2011, A1. Location in patent: Page/Page column 99
[3] Patent: WO2012/140419, 2012, A1. Location in patent: Page/Page column 87
[4] Patent: US2012/264731, 2012, A1. Location in patent: Page/Page column 34; 35
[5] Journal of Medicinal Chemistry, 2015, vol. 58, # 2, p. 943 - 962

METHYL 3-ACETYL-4-HYDROXYBENZOATE Preparation Products And Raw materials

Raw materials

Preparation Products

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METHYL 3-ACETYL-4-HYDROXYBENZOATE Suppliers

China 48 India 1 United Kingdom 1 United States 4 Global 54

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57009-12-8, METHYL 3-ACETYL-4-HYDROXYBENZOATERelated Search:

3-acetyl-4-hydroxybenzoic acid methyl 9H-fluorene-9-carboxylate Methyl 5-broMothiophene-3-carboxylate methyl N-formyl-N-methylglycinate Methyl 2-(4-(6-chloropyriMidin-4-yloxy)phenyl)acetate Methyl 6-Methoxy-5-nitronicotinate methyl 3-bromo-2-((diethoxyphosphoryl)methyl)-4,6-dimethoxybenzoate Methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate Methyl 2-Methylthiazole-4-carboxylate methyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate Iguratimod Impurity 3

EOS-61538

Benzoic acid, 3-acetyl-4-hydroxy-, methyl ester

Aspirin Impurity 13

Methanone,[6-(bromomethyl)phenyl]phenyl-

Methyl-3-acethyl-4-hdyroxy benzoate

3-Acetyl-4-hydroxybenzoic acid methyl ester

57009-12-8

Aromatic Cinnamic Acids, Esters and Derivatives