4-TERT-BUTYLPHENYLACETIC ACID
- Product Name
- 4-TERT-BUTYLPHENYLACETIC ACID
- CAS No.
- 32857-63-9
- Chemical Name
- 4-TERT-BUTYLPHENYLACETIC ACID
- Synonyms
- BTS-10335;ASISCHEM Y85510;RARECHEM AL BO 0709;Butylphenylessigsureca;4-T-BUTYLPHENYLACETIC ACID;Phenylacetic acid tert-butyl;2-(4-tert-butylphenyl)acetate;4-TERT-BUTYLPHENYLACETIC ACID;p-tert-Butylphenylacetic acid;4-Tert-Butylbenzeneacetic Acid
- CBNumber
- CB7409336
- Molecular Formula
- C12H16O2
- Formula Weight
- 192.25
- MOL File
- 32857-63-9.mol
4-TERT-BUTYLPHENYLACETIC ACID Property
- Melting point:
- 77-78°C
- Boiling point:
- 302.8±11.0 °C(Predicted)
- Density
- 1.047±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.41±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
- InChIKey
- RUAYXHSDAMWEDR-UHFFFAOYSA-N
- SMILES
- C1(CC(O)=O)=CC=C(C(C)(C)C)C=C1
- CAS DataBase Reference
- 32857-63-9(CAS DataBase Reference)
- EPA Substance Registry System
- Benzeneacetic acid, 4-(1,1-dimethylethyl)- (32857-63-9)
Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36/37/38-22
- Safety Statements
- 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 29163990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- 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.
N-Bromosuccinimide Price
- Product number
- B4307
- Product name
- 4-tert-Butylphenylacetic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $32
- Updated
- 2025/07/31
- Product number
- B4307
- Product name
- 4-tert-Butylphenylacetic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $108
- Updated
- 2025/07/31
- Product number
- B809655
- Product name
- 4-tert-Butylphenylacetic Acid
- Packaging
- 500mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- JK503262
- Product name
- 4-tert-Butylphenylacetic Acid
- Purity
- 98%
- Packaging
- 1g
- Price
- $81
- Updated
- 2021/12/16
- Product number
- 034848
- Product name
- 4-tert-Butylphenylacetic acid
- Purity
- 98%
- Packaging
- 1g
- Price
- $10
- Updated
- 2021/12/16
4-TERT-BUTYLPHENYLACETIC ACID Chemical Properties,Usage,Production
Chemical Properties
Almost white crystalline powder
Synthesis
3549-23-3
32857-63-9
The general procedure for the synthesis of 4-tert-butylphenylacetic acid from methyl 4-tert-butylphenylacetate was as follows: 4-tert-butylphenylacetic acid methyl ester (4.13 g, 20 mmol) was dissolved in methanol (160 mL), and water (40 mL) and sodium hydroxide (1.2 g, 30 mmol) were added sequentially. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the volatile solvent was removed by distillation under reduced pressure, and the residue was diluted with water and acidified with 1 N sulfuric acid solution to pH 4. The precipitated solid was filtered, washed with water, and dried to afford 4-tert-butylphenylacetic acid as a white solid in 39% yield. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3) and 13C NMR (101 MHz, CDCl3): 1H NMR δ 1.32 (s, 9H), 3.60 (s, 2H), 7.22 (d, J = 8.2 Hz, 2H), 7.35 (d, J = 8.2 Hz, 2H), 8.48 (s, 1H) ppm; 13C NMR δ 31.49 (3C), 34.62, 40.84, 125.70 (2C), 129.16 (2C), 130.57, 150.29, 177.92 ppm.
References
[1] Tetrahedron Asymmetry, 2016, vol. 27, # 19, p. 936 - 942
[2] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 9, p. 2047 - 2050
[3] Journal of Medicinal Chemistry, 2000, vol. 43, # 23, p. 4354 - 4358
[4] Patent: WO2004/69792, 2004, A2. Location in patent: Page 125
[5] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 9, p. 2386 - 2391
4-TERT-BUTYLPHENYLACETIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-TERT-BUTYLPHENYLACETIC ACID manufacturers
- Product
- 4-TERT-BUTYLPHENYLACETIC ACID 32857-63-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 20T
- Release date
- 2024-08-13
- Product
- 4-TERT-BUTYLPHENYLACETIC ACID 32857-63-9
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 95%-99%
- Supply Ability
- 100kg
- Release date
- 2018-12-20