| Identification | Back Directory | [Name]
3,5-Diisopropyl-4-hydroxybenzoic acid | [CAS]
13423-73-9 | [Synonyms]
Propofol－imA
Propofol impurity N
Propofol EP Impurity N
Propofol 4-Carboxylic Acid
4-Hydroxy-3,5-diisopropylbenzoic Acid
3,5-diisopropyl p-hydroxybenzoic acid
4-hydroxy-3,5-di(propan-2-yl)benzoicaci
4-hydroxy-3,5-di(propan-2-yl)benzoic acid
Propofol Impurity 14（Propofol EP Impurity N）
3,5-Bis(1-methylethyl)-4-hydroxybenzoic acid
4-Hydroxy-3,5-bis(1-Methylethyl)benzoic Acid
Benzoic acid, 4-hydroxy-3,5-bis(1-methylethyl)- | [EINECS(EC#)]
248-592-1 | [Molecular Formula]
C13H18O3 | [MDL Number]
MFCD00490203 | [MOL File]
13423-73-9.mol | [Molecular Weight]
222.28 |
| Questions And Answer | Back Directory | [Synthesis]
In a 500ml reaction flask, add 133g (0.89mol) of p-hydroxybenzoic acid, 300g (5mol) of isopropanol, and 50g of solid acid, and stir until the solid is homogeneous. Place it in an ultrasonic reactor and install a reflux device. Set the reaction temperature to 40-60℃, the ultrasonic power to 500W, and react for 1-3 hours. The reaction solution gradually changes from white to yellow, and then to orange-red. The reaction conversion rate was monitored using HPLC (using the same method as in Example 1). The reaction was considered complete when the p-hydroxybenzoic acid content was less than 5%, at which point the reaction was stopped. The solid acid catalyst was filtered off and reused in the next reaction. The filtrate was allowed to crystallize at approximately 5–10°C for 6–10 hours. The crystals were filtered, dried at 50–60°C for 6 hours, and analyzed by HPLC. Impurities were found to be less than 0.1%, yielding 154 g of the intermediate 3,5-Diisopropyl-4-hydroxybenzoic acid, with a yield of 78%. |
| Chemical Properties | Back Directory | [Melting point ]
146 °C | [Boiling point ]
343.5±42.0 °C(Predicted) | [density ]
1.108±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Heated), Ethyl Acetate (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.65±0.10(Predicted) | [color ]
White to Off-White | [Major Application]
pharmaceutical small molecule | [InChI]
InChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16) | [InChIKey]
WYAZPCLFZZTVSP-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(C(C)C)=C(O)C(C(C)C)=C1 |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Rhawn Reagent
|
| Telephone: |
400-400-1332688 18019345275 |
| Website: |
http://www.rhawn.cn |
|