1421-49-4

Basic information

• Product Name: 3,5-Di-tert-butyl-4-hydroxybenzoic acid
• Synonyms: 4-HYDROXY-3,5-DITERTBUTYL BENZOIC ACID;3,5-DI-TERT-BUTYL-4-HYDROXYBENZOIC ACID;3,5-Bis-tert-butyl-4-hydroxybenzoic acid;RARECHEM AL BO 0767;3,5-bis(1,1-dimethylethyl)-4-hydroxy-benzoicaci;3,5-bis(1,1-dimethylethyl)-4-hydroxy-Benzoicacid;3,5-di-butyl-4-hydroxybenzoicacid;3,5-di-tert-butyl-4-hydroxy-benzoicaci
• CAS NO: 1421-49-4
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.33
• EINECS: 215-823-2
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organic acids;Carboxylic Acids;Phenyls & Phenyl-Het;Pharmaceutical Intermediate;C13 to C42+;Carbonyl Compounds
• Mol File: 1421-49-4.mol
• Article Data: 19

Chemical Properties

• Melting Point: 206-209 °C(lit.)
• Boiling Point: 353.47°C (rough estimate)
• Flash Point: 174 °C
• Appearance: Light yellow to beige crystalline powder
• Density: 1.0589 (rough estimate)
• Vapor Pressure: 3.28E-05mmHg at 25°C
• Refractive Index: 1.5600 (estimate)
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 4.77±0.10(Predicted)
• Water Solubility: Insoluble in water.
• Stability: Hygroscopic
• BRN: 2216948
• CAS DataBase Reference: 3,5-Di-tert-butyl-4-hydroxybenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Di-tert-butyl-4-hydroxybenzoic acid(1421-49-4)
• EPA Substance Registry System: 3,5-Di-tert-butyl-4-hydroxybenzoic acid(1421-49-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• RTECS: DG6320000
• TSCA: Yes
• Hazardous Substances Data: 1421-49-4(Hazardous Substances Data)

Usage

Description

3,5-Di-tert-butyl-4-hydroxybenzoic acid is a metabolite of butylated hydroxytoluene, characterized by its light yellow to beige crystalline powder appearance. It is a chemical compound with significant applications in various industries due to its unique properties.

Uses

Used in Pharmaceutical Industry:
3,5-Di-tert-butyl-4-hydroxybenzoic acid is used as a pharmaceutical intermediate for the synthesis of antistress agents. It plays a crucial role in the development of medications aimed at reducing stress and its associated effects on the human body.
Used in Chemical Synthesis:
As a chemical intermediate, 3,5-Di-tert-butyl-4-hydroxybenzoic acid is also utilized in the synthesis of various compounds for different applications, showcasing its versatility in the chemical industry.

InChI:InChI=1/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)/p-1

Upstream product

• 1620-98-0 3,5-di-t-butyl-4-hydroxybenzaldehyde 
• 69901-39-9 1-methyl-3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienyl 3,5-di-tert-butyl-4-hydroxyperbenzoate 
• 69901-40-2 1-ethyl-3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienyl 3,5-di-tert-butyl-4-hydroxyperbenzoate 
• 69901-41-3 1-isopropyl-3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienyl 3,5-di-tert-butyl-4-hydroxyperbenzoate 
• 69901-42-4 1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadienyl 3,5-di-tert-butyl-4-hydroxyperbenzoate 
• 40056-43-7 3,5-di-tert-butyl-4-hydroxybenzoyl chloride 
• 67-68-5 dimethyl sulfoxide 
• 95741-32-5 2,4-dinitrophenyl 4-hydroxy-3,5-di-tert-butylbenzoate 
• 1988-88-1 2,6-di-tert-butyl-4-cyanophenol 
• 2511-22-0 methyl 3,5-di-tert-butyl-4-hydroxybenzoate 
• 1918-11-2 terbucarb 
• 124-38-9 carbon dioxide 
• 22719-43-3 Coppinger's Radikal 
• 14035-33-7 1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone 

Downstream Products

• 88-26-6 3,5-di-tert-butyl-4-hydroxybenzyl alcohol 
• 64506-75-8 β-{4-[2-(3,5-di-tert.-butyl-4-hydroxybenzamido)-ethyl]-phenyl}-propionic acid 
• 78649-07-7 C₂₄H₃₈NO₄ 
• 137937-56-5 2-ethylhexyl 3,5-di-tert-butyl-4-hydroxybenzoate 
• 1420-07-1 2-tert-butyl-4,6-dinitrophenol 
• 719-22-2 2,6-Di-tert-butyl-1,4-benzoquinone 
• 2455-14-3 3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone 
• 40056-43-7 3,5-di-tert-butyl-4-hydroxybenzoyl chloride 
• 130116-87-9 acetamide O-<3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoyl>oxime 
• 130116-88-0 2-chloroacetamide O-<3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoyl>oxime 
• 81056-36-2 7-tert-Butyl-2-methyl-5-benzoxazolcarbonsaeure 
• 71579-51-6 4-Hydroxy-3.5-di-tert-butyl-benzoesaeure-cyclohexylester 
• 2511-22-0 methyl 3,5-di-tert-butyl-4-hydroxybenzoate 
• 4221-75-4 n-dodecyl 3,5-di-t-butyl-4-hydroxybenzoate 

Relevant articles and documents

3. 5 - Di-tert-butyl -4 - hydroxy benzoic acid production method (by machine translation)

The invention discloses a 3, 5 - di-tert-butyl - 4 - hydroxy benzoic acid production method, comprises sequentially the following steps: nitrogen gas under the protection of the added to the reaction kettle 2, 6 - di-tert-butyl phenol, aqueous solution of potassium hydroxide and toluene, which divides the water under the condition of a reflux reaction; then to carbon dioxide in the reactor until the pressure is 0.1 - 3.0 mpa, pressure-maintaining condition kohl uncle - Schmidt reaction, after the reaction, the corresponding after-treatment, to obtain 3, 5 - di-tert-butyl - 4 - hydroxy benzoic acid crude product. The invention short reaction time, the conversion is high, the traditional gas-solid process and the existing solvent process for synthesizing process advantage is obvious, suitable for further industrialization. (by machine translation)

Preparation method of propofol and structural analogues of propofol

The invention relates to a preparation method of propofol and structural analogues of propofol. The preparation method comprises the steps as follows: preparing an intermediate from p-hydroxybenzoic acid and alkyl alcohol as raw materials under the action of a solid acid catalyst, and then preparing a target product by a decarboxylase reaction. The preparation method has the characteristics of being green in synthesis, realizing biotransformation, causing little pollution, producing few by-products and the like, and is suitable for industrial production; the purity of the prepared products such as propofol is 99.6% or higher, which meets various medicinal standards.

Method for producing 3,5-DI-TERT-BUTYL-4-hydroxybenzoic acid

The present invention provides a method for producing 3,5-di-tert-butyl-4-hydroxybenzoic acid comprising:(1) providing 2,6-di-tert-butylphenol which may contain up to 0.5 % by weight of 3,3',5,5'-tetra-tert-butyl-4,4'-dihydroxybiphenyl;(2) reacting a basic alkali metal compound with an excess amount of the 2,6-di-tert-butylphenol, which is: in excess of the basic alkali metal compound, to give the alkali metal 2,6-di-tert-butylphenolate; and(3) reacting the alkali metal 2,6-di-tert-butylphenolate obtained in step (2) with carbon dioxide to give 3,5-di-tert-butyl-4-hydroxybenzoic acid. According to the method of the present invention, 3,5-di-tert-butyl-4-hydroxybenzoic acid can be obtained with high and stable yield.