Phenol, 4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-

Base Information

• Chemical Name: Phenol, 4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-
• CAS No.: 472-41-3
• Deprecated CAS: 122970-81-4,122970-82-5,122970-83-6,122970-84-7,122970-85-8,122970-86-9,122970-87-0,122970-88-1,35485-38-2,56954-97-3
• Molecular Formula: C18H20O2
• Molecular Weight: 268.356
• Hs Code.: 2932999099
• European Community (EC) Number: 207-450-9
• NSC Number: 527817,46014,39757
• UNII: 90766708Z6
• DSSTox Substance ID: DTXSID30883388
• Nikkaji Number: J24.787A
• Wikipedia: Dianin%27s_compound,Dianin's_compound
• Wikidata: Q5271650
• Mol file: 472-41-3.mol

Synonyms:4-p-hydroxyphenyl-2,2,4-trimethylchroman;Dianin's compound

Chemical Property of Phenol, 4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-

Chemical Property:

• Vapor Pressure: 3.42E-06mmHg at 25°C
• Melting Point: 140℃
• Refractive Index: 1.56
• Boiling Point: 390.7 °C at 760 mmHg
• PKA: 10.02±0.30(Predicted)
• Flash Point: 166.7 °C
• PSA: 29.46000
• Density: 1.087 g/cm³
• LogP: 4.25930
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 268.146329876
• Heavy Atom Count: 20
• Complexity: 343

Purity/Quality:

97% ^*data from raw suppliers

4-P-Hydroxyphenyl-2,2,4-trimethylchroman ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C2=CC=CC=C2O1)(C)C3=CC=C(C=C3)O)C

Technology Process of Phenol, 4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-

There total 6 articles about Phenol, 4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

4-methyl-pent-3-en-2-one (141-79-7) + phenol (108-95-2,27073-41-2) → 4-p-hydroxyphenyl-2,2,4-trimethylchroman (472-41-3)

Guidance literature:

With hydrogen bromide; In water; Ambient temperature;

DOI:10.1021/jo00210a029

Reference yield:

parathion-methyl (298-00-0) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + O,O,S-trimethyl phosphorothioate (152-20-5) + methyl paraoxon (950-35-6) + phthalic acid dimethyl ester (131-11-3,64441-70-9) + 4-p-hydroxyphenyl-2,2,4-trimethylchroman (472-41-3) + hydroquinone (123-31-9,8027-02-9) + tiolacetic acid (507-09-5)

Guidance literature:

With water; oxygen; ozone; at 22.2 - 25.3 ℃; Wavelength; Kinetics; Quantum yield; UV-irradiation; Neat (no solvent);

DOI:10.1016/j.jphotochem.2009.11.014

Reference yield:

BPA (80-05-7) → 4-p-hydroxyphenyl-2,2,4-trimethylchroman (472-41-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 200 - 280 °C

2: 60 percent / HBr / H₂O / Ambient temperature

With hydrogen bromide; In water;

DOI:10.1021/jo00210a029

upstream raw materials:

2,2,4-trimethyl-2H-benzopyran

phenol

4-methyl-pent-3-en-2-one

pyridine hydrochloride

Downstream raw materials:

3,6,9,9-tetramethylxanthene

phenol

C₁₈H₂₀O₂*C₁₈H₂₀OS

4-(3-chloroacetyl-4-hydroxyphenyl)-2,2,4-trimethylchroman

Refernces

The photochemistry of trans-isohumulone, a bitter flavouring component of beer

10.1139/V08-072

The study focuses on the photochemistry of trans-isohumulone, a key bitter flavoring component in beer, to understand its degradation under UV light, which is crucial for the brewing industry. The researchers irradiated methanolic solutions of trans-isohumulone with UV light at 313 nm, yielding four primary products containing an enolized cyclic β-triketone moiety: cis-isohumulone, humulone, dehydro-isohumulone, and dehydro-humulinic acid. Nine volatile products derived from the side chain of trans-isohumulone were also identified and quantified. The study aimed to clarify previous contradictory reports on the photolysis products of isohumulone and to provide insights into the unexpected photochemistry of alkenyl-substituted enolized cyclic β-triketones. The chemicals used in the study served as solvents, reagents for the irradiation process, and standards for the identification and quantification of the photoproducts.