3-HYDROXY-5-METHYL-BENZOIC ACID
- Product Name
- 3-HYDROXY-5-METHYL-BENZOIC ACID
- CAS No.
- 585-81-9
- Chemical Name
- 3-HYDROXY-5-METHYL-BENZOIC ACID
- Synonyms
- Aids018040;Aids-018040;3,5-Cresotic acid;-Hydroxy-5-methylbenzoic acid;3-hydrox-5-methylbenzoic acid;3-HYDROXY-5-METHYL-BENZOIC ACID;Benzoic acid, 3-hydroxy-5-methyl-;3-HYDROXY-5-METHYL-BENZOIC ACID 97%
- CBNumber
- CB11010373
- Molecular Formula
- C8H8O3
- Formula Weight
- 152.15
- MOL File
- 585-81-9.mol
3-HYDROXY-5-METHYL-BENZOIC ACID Property
- Melting point:
- 210°C
- Boiling point:
- 234.6°C (rough estimate)
- Density
- 1.2143 (rough estimate)
- refractive index
- 1.4945 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 4.15±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
Safety
- HS Code
- 2916399090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
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.
N-Bromosuccinimide Price
- Product number
- C782050
- Product name
- 3,5-CresoticAcid
- Packaging
- 5g
- Price
- $525
- Updated
- 2021/12/16
- Product number
- 278777
- Product name
- 3-Hydroxy-5-methylbenzoic acid
- Packaging
- 5g
- Price
- $1288
- Updated
- 2021/12/16
- Product number
- CHM0077012
- Product name
- 3-HYDROXY-5-METHYL-BENZOIC ACID
- Purity
- 95.00%
- Packaging
- 2.5G
- Price
- $1337.31
- Updated
- 2021/12/16
- Product number
- CHM0077012
- Product name
- 3-HYDROXY-5-METHYL-BENZOIC ACID
- Purity
- 95.00%
- Packaging
- 5G
- Price
- $1717.07
- Updated
- 2021/12/16
- Product number
- OR345377
- Product name
- 3-Hydroxy-5-methylbenzoicacid
- Purity
- 95%
- Packaging
- 25g
- Price
- $812
- Updated
- 2021/12/16
3-HYDROXY-5-METHYL-BENZOIC ACID Chemical Properties,Usage,Production
Chemical Properties
White powder
Uses
3,5-Cresotic Acid is a reactant used in the preparation of trisubstituted benzenes as thrombin inhibitors for the treatment of coagulation disorders.
Synthesis
100118-65-8
585-81-9
General procedure for the synthesis of 3-hydroxy-5-methylbenzoic acid from the compound (CAS:100118-65-8): the oxo compound (57 g, 0.21 mol) was added to water (450 mL) together with magnesium oxide (38.1 g, 0.945 mol). The reaction mixture immediately changed to a dark reddish-orange color, followed by a gradual change to a light brown color over about 15 minutes. After continuous stirring and heating for 30 minutes, the excess magnesium oxalate and magnesium oxide were removed by filtration. The residue was washed with warm water, the filtrates were combined and concentrated by distillation under vacuum to about 30 mL. The concentrate was slowly added to a mixture consisting of concentrated hydrochloric acid and water (1:1, v/v, 50 mL), whereupon a precipitate was produced. The precipitate was filtered, washed with cold water and dried. Finally, purification by recrystallization in water afforded 3-hydroxy-5-methylbenzoic acid as a light brown solid (13.43 g, 42% yield). Melting point: 202-203 °C (literature value 207-208 °C); 1H NMR (D2O) δ: 2.19 (s, 3H), 6.82 (s, 1H), 7.07 (s, 1H), 7.20 (s, 1H); 13C NMR (D2O) δ: 20.20, 113.00, 121.03, 122.25, 130.65, 140.55, 155.34, 170.26.
References
[1] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 16, p. 4720 - 4723
[2] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 19, p. 5622 - 5626
[3] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 11, p. 3961 - 3973
[4] Bulletin of the Korean Chemical Society, 2010, vol. 31, # 7, p. 1848 - 1858
[5] Patent: US2011/15395, 2011, A1. Location in patent: Page/Page column 13
3-HYDROXY-5-METHYL-BENZOIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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