4-Methylthiophenylacetic acid
- CAS No.
- 16188-55-9
- Chemical Name:
- 4-Methylthiophenylacetic acid
- Synonyms
- 4-(METHYLTHIO)PHENYLACETIC ACID;2-(4-(methylthio)phenyl)acetic acid;RARECHEM AL BO 0923;4-Methylthiophenylac;Etoricoxib Impurity 53;4-(Methylthio)fenylazijnzuur;4-(methylthio)ohenylacetic acid;4-(Methylthio)benzeneacetic acid;4-(Methylthio)phenylacetic acid 99%;4-(Methylthio)phenylacetic acid,98%
- CBNumber:
- CB5145142
- Molecular Formula:
- C9H10O2S
- Molecular Weight:
- 182.24
- MDL Number:
- MFCD00192325
- MOL File:
- 16188-55-9.mol
- MSDS File:
- SDS
| Melting point | 97-98 °C(lit.) |
|---|---|
| Boiling point | 337.4±25.0 °C(Predicted) |
| Density | 1.23±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | powder to crystal |
| pka | 4.34±0.10(Predicted) |
| color | White to Yellow to Orange |
| InChI | InChI=1S/C9H10O2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | AHMLFHMRRBJCRM-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=C(SC)C=C1 |
| CAS DataBase Reference | 16188-55-9(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29309099 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| NFPA 704 |
|
4-Methylthiophenylacetic acid price More Price(57)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 396591 | 4-(Methylthio)phenylacetic acid 99% | 16188-55-9 | 1g | $64.6 | 2026-04-30 | Buy |
| TCI Chemical | M2874 | 4-(Methylthio)phenylacetic Acid >98.0%(GC)(T) | 16188-55-9 | 1g | $51 | 2026-04-30 | Buy |
| TCI Chemical | M2874 | 4-(Methylthio)phenylacetic Acid >98.0%(GC)(T) | 16188-55-9 | 5g | $161 | 2026-04-30 | Buy |
| Usbiological | 283465 | 4-Methylthiophenylacetic acid Asreported | 16188-55-9 | 1g | $402 | 2026-06-03 | Buy |
| Usbiological | 283465 | 4-Methylthiophenylacetic acid Asreported | 16188-55-9 | 2g | $615 | 2026-06-03 | Buy |
4-Methylthiophenylacetic acid Chemical Properties, Uses, Production
Application
Methylthiophenylacetic acid is a key intermediate in the preparation of etoricoxib. The traditional method involves the hydrolysis of 4-methylthioacetophenone via the Willgerodt-Kindler rearrangement. In the preparation of this compound, the Willgerodt-Kindler rearrangement reaction is carried out using sublimed sulfur and morpholine as reactants to prepare a thioamide intermediate, which is then hydrolyzed to yield 4-methylthiophenylacetic acid.
Chemical Properties
Cream crystalline powder
Uses
TiO2 photocatalytic one-electron oxidation of 4-(methylthio)phenylacetic acid has been reported by time-resolved diffuse reflectance spectroscopy.
General Description
TiO2 photocatalytic one-electron oxidation of 4-(methylthio)phenylacetic acid has been reported by time-resolved diffuse reflectance spectroscopy.
Synthesis
1878-66-6
5188-07-8
16188-55-9
1. 10 g of 4-bromophenylacetic acid was dissolved in 20 mL of DMF under nitrogen protection. 2. 5.0 g of sodium methanethiol and 0.5 g of copper powder were added for nitrogen displacement. 3. The reaction mixture was heated to 130 °C under nitrogen protection and the reaction was stirred for 24 hours. 4. After the reaction was completed, it was cooled to room temperature. 5. The reaction mixture was processed according to the method of Example 1 to finally obtain 4-methylthiophenylacetic acid in 79.3% yield. Alternative steps: 1. 10 g of 4-bromophenylacetic acid was dissolved in 20 mL of DMF under nitrogen protection. 2. 5.0 g of sodium methanethiol and 0.1 g of cuprous bromide were added for nitrogen substitution. 3. The reaction mixture was heated to 130 °C under nitrogen protection and the reaction was stirred for 4 hours. 4. Upon completion of the reaction, the mixture was cooled to room temperature, 5mL of 40% NaOH solution was added and stirred for 10 minutes. 5. Extracted twice with 25mL of ethyl acetate and combined the organic phases. 6. Add 50mL of ethyl acetate and adjust pH to 2-4 with 10% dilute sulfuric acid. 7. Collect the ethyl acetate layer and wash with 10mL of water. 8. Concentrate ethyl acetate to about 20mL by distillation, add 20mL hexane. 9. Heat to reflux to completely dissolve the solid, slowly cool to room temperature and filter to obtain yellow crystals. 10. 6.38g of 4-methylthiophenylacetic acid was obtained after drying in 76.1% yield.
References
[1] Patent: CN105646306, 2016, A. Location in patent: Paragraph 0011
4-Methylthiophenylacetic acid Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Nantong Xiaochang Pharmaceutical Trading Co., Ltd. | 0513-82104991 18862997351 | sales11@btcpharm.com | China | 859 | 58 |
| Shanghai RC Chemicals Co. Ltd | 17305617782 | sales1@rcc.net.cn | China | 214 | 55 |
| Hangzhou Yaoruiyicheng Biological Medicine Co., Ltd | 18317105404 | marketing002@witofly.com | China | 1600 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Shijiazhuang Sdyano Fine Chemical Co., Ltd. | 0311-89250318 13582355795 | master@sjzsdyn.com | China | 2776 | 65 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
View Latest Price from 4-Methylthiophenylacetic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2026-06-30 | 4-Methylthiophenylacetic acid
16188-55-9
|
1kg | 99% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
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2025-04-04 | 4-Methylthiophenylacetic acid
16188-55-9
|
1kg | 98% | 1Ton | Henan Aochuang Chemical Co.,Ltd.
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2019-07-14 | 4-Methylthiophenylacetic acid
16188-55-9
|
$8.80 | 1KG | 97%-99% | 100kg | Career Henan Chemical Co |
-
- 4-Methylthiophenylacetic acid
16188-55-9
- $0.00
- 99%
- Shaanxi Dideu New Materials Co. Ltd
-
- 4-Methylthiophenylacetic acid
16188-55-9
- 98%
- Henan Aochuang Chemical Co.,Ltd.
-
- 4-Methylthiophenylacetic acid
16188-55-9
- $8.80
- 97%-99%
- Career Henan Chemical Co
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