5374-06-1

Basic information

• Product Name: 4,6-DI(TERT-BUTYL)BENZENE-1,3-DIOL
• Synonyms: 4,6-DI-T-BUTYLRESORCINOL;4,6-DI(TERT-BUTYL)BENZENE-1,3-DIOL;4,6-DI-TERT-BUTYLRESORCINOL;1,3-DI-TERT-BUTYL-4,6-DIHYDROXYBENZENE;4,6-bis(1,1-dimethylethyl)-1,3-benzenediol;4,6-bis(1,1-dimethylethyl)-3-benzenediol;4,6-Di(tert-butyl)-1,3-benzenediol
• CAS NO: 5374-06-1
• Molecular Formula: C₁₄H₂₂O₂
• Molecular Weight: 222.32
• EINECS: 226-366-3
• Mol File: 5374-06-1.mol
• Article Data: 21

Chemical Properties

• Melting Point: 120-125 °C
• Boiling Point: 308.4°C at 760 mmHg
• Flash Point: 135.7°C
• Appearance: /
• Density: 1.012g/cm³
• Vapor Pressure: 0.000375mmHg at 25°C
• Refractive Index: 1.52
• Solubility: soluble in Methanol
• PKA: 11.06±0.23(Predicted)
• CAS DataBase Reference: 4,6-DI(TERT-BUTYL)BENZENE-1,3-DIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4,6-DI(TERT-BUTYL)BENZENE-1,3-DIOL(5374-06-1)
• EPA Substance Registry System: 4,6-DI(TERT-BUTYL)BENZENE-1,3-DIOL(5374-06-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• RTECS: CZ8800000
• Hazardous Substances Data: 5374-06-1(Hazardous Substances Data)

Usage

General Description

4,6-Di(tert-butyl)benzene-1,3-diol is a chemical compound belonging to the class of organic compounds known as phenols. These are compounds containing a phenol functional group, which consists of a benzene ring bearing a hydroxyl group. More specifically, it is a tert-butylbenzene substituted by hydroxy groups at positions 1 and 3 and tert-butyl groups at positions 4 and 6. 4,6-DI(TERT-BUTYL)BENZENE-1,3-DIOL is characterized by the presence of aromatic rings and hydroxyl functional groups. Its physical properties can vary depending on its structural form, but in general, it is known for its stability and ability to participate in various chemical reactions. Its practical applications can span across various industries, including pharmaceuticals, chemical research, and more.

InChI:InChI=1/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,15-16H,1-6H3

Upstream product

• 115-11-7 isobutene 
• 108-46-3 recorcinol 
• 75-65-0 tert-butyl alcohol 
• 507-19-7 t-butyl bromide 
• 1634-04-4 tert-butyl methyl ether 
• 75376-45-3 sodium salt of 2,4-di-tertbutylphenol 
• 20784-81-0 2,4,6-Tri-tert.-butyl-cyclohexen-⁽⁵⁾-dion-(1,3) 

Downstream Products

• 129056-51-5 1-(3-tert-butyl-4,6-dihydroxyphenyl)-3-methyl-2-buten-1-one 
• 129056-50-4 2',4'-di-tert-butyl-5'-hydroxyphenyl 3-methylbut-2-enoate 
• 116935-77-4 4,6-di-t-butyl-2-(4-nitrophenylazo)resorcinol 
• 116935-76-3 4,6-di-t-butyl-2-phenylazoresorcinol 
• 85630-04-2 5-[2,4-Di-tert-butyl-5-(4-methoxycarbonyl-4-methyl-pentyloxy)-phenoxy]-2,2-dimethyl-pentanoic acid methyl ester 
• 61575-88-0 cis-4,6-di-tert-butylcyclohexane-1,3-dione 
• 55579-78-7 trans-4,6-di-tert-butylcyclohexane-1,3-dione 
• 111841-31-7 2,4-bis(1,1-dimethylethyl)-5-(dodecyloxy)phenol 
• 129056-49-1 6-tert-butyl-7-hydroxy-2,2-dimethyl-4-chromanone 
• 4857-70-9 2-tert-butyl-5-hydroxy-1,4-benzoquinone 
• 38475-56-8 4,6-di-tert-butyl-3-hydroxy-[1,2]benzoquinone 
• 694520-69-9 (3-methoxycarbonyl-2,5-di-tert-butylphenoxy)ethanoic acid 
• 15910-53-9 4,6-di-tert-butyl-1,3-dimethoxybenzene 

Relevant articles and documents

Alkylation of resorcinol with tertiary butanol over zeolite catalysts: Shape selectivity vs acidity

The catalytic performance of various zeolites such as H-ZSM-5, H-Y, H-beta, H-Mordenite in resorcinol alkylation with tertiary butanol demonstrated that pore characteristics have major influence on product selectivity, whereas acid strength and number of acid sites influenced resorcinol conversion. The passivation of external surface of H-beta zeolite by silylation and amine poisoning produced shape selectively O-alkylated resorcinol methyl tert butyl ether (RMTBE) and 4-tert butyl resorcinol (4-TBR). We propose that 4-TBR formation goes over external acid sites through RMTBE isomerization, whereas formation of 4-TBR takes place inside the pores through direct C-alkylation mechanism.

Synthesis method of novel large-steric-hindrance biphenol skeleton and tridentate phosphite ligand thereof

The invention discloses a synthesis method of a novel large-steric-hindrance biphenol skeleton 2, 2', 6-trihydroxy-3, 3', 5, 5'-tetra-tert-butyl-1, 1'-biphenyl and a tridentate phosphite ligand thereof. The novel biphenyl tridentate phosphite ligand has a structure as shown in a general formula I, and a substituent R in the general formula I can be a cyclic phosphine structure. The novel biphenyltridentate phosphite ligand has good conversion rate and normal-to-isomeric ratio in a mixed/etherified C4(butylene) hydroformylation reaction system.

Biphenol compound as well as preparation method and application thereof

The invention discloses a biphenyl triphenol compound. The compound has a structure as shown in the following formula (I). The biphenyl triphenol compound provided by the invention is an important intermediate for synthesizing a tridentate phosphite ligand of a biphenyl frame, and plays an important role in hydroformylation reaction and industrial application thereof. The invention also provides preparation methods of various biphenol compounds, including an oxidative coupling method; the oxidative coupling method provided by the invention can be used for synthesizing the biphenol compounds inone step; and the method has the advantages of cheap and easily available catalyst, simple operation, good yield, low cost and large-scale preparation.