4-((4-Isopropoxyphenyl)sulfonyl)phenol

Base Information

• Chemical Name: 4-((4-Isopropoxyphenyl)sulfonyl)phenol
• CAS No.: 95235-30-6
• Deprecated CAS: 106607-88-9
• Molecular Formula: C₁₅H₁₆O₄S
• Molecular Weight: 292.356
• Hs Code.: 2909500000
• European Community (EC) Number: 405-520-5,619-116-3
• DSSTox Substance ID: DTXSID2058706
• Nikkaji Number: J93.730D
• Wikidata: Q39717462
• Mol file: 95235-30-6.mol

Synonyms:95235-30-6;4-((4-Isopropoxyphenyl)sulfonyl)phenol;4-hydroxy-4'-isopropoxydiphenylsulfone;4-(4-propan-2-yloxyphenyl)sulfonylphenol;D8(HPS);4-(4-isopropoxyphenylsulfonyl)phenol;BPS-monoP;Phenol, 4-[[4-(1-methylethoxy)phenyl]sulfonyl]-;4-(4-isopropoxyphenyl)sulfonylphenol;SCHEMBL26268;4-Hydroxyphenyl 4-Isopropoxyphenyl Sulfone;Bisphenol S-monoisopropyl ether;DTXSID2058706;EC 405-520-5;Phenol, 4-((4-(1-methylethoxy)phenyl)sulfonyl)-;4-[(4-Isopropoxyphenyl)sulfonyl]phenol;PubChem20393;4-Isopropyloxyphenyl-4'-Hydroxyphenylsulfone;CTK8F6028;4-(4-Isopropoxyphenylsulfonyl) Phenol;AK122331;MolPort-003-987-480;ZTILAOCGFRDHBH-UHFFFAOYSA-N;MFCD01861244;AKOS015897599;4-hydroxy-4'-isopropoxy diphenyl sulfone;AC-19660;AS-12810;CS-0138053;FT-0642301;I1045;D78260;A845247

Chemical Property of 4-((4-Isopropoxyphenyl)sulfonyl)phenol

Chemical Property:

• Vapor Pressure: 0Pa at 27℃
• Melting Point: 129 °C
• Boiling Point: 478.789 °C at 760 mmHg
• PKA: 7.24±0.15(Predicted)
• Flash Point: 243.363 °C
• PSA: 71.98000
• Density: 1.251 g/cm³
• LogP: 4.09300
• Storage Temp.: -20°C
• Solubility.: 0.891 in mg/100g standard fat at 20 ℃
• Water Solubility.: 19.7mg/L at 25℃
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 292.07693016
• Heavy Atom Count: 20
• Complexity: 383

Purity/Quality:

99% ^*data from raw suppliers

UBA7 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)O
• Uses: For color developing dyes, various types of dye such as fluoran, phthalide, lactam, triphenylmethane, spiropyran and other types of leuco dyes can be used, but usable dyes are not limited to these only. Besides, these color developing dyes can be mixed in different combinations.

Technology Process of 4-((4-Isopropoxyphenyl)sulfonyl)phenol

There total 5 articles about 4-((4-Isopropoxyphenyl)sulfonyl)phenol 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: 73.1%

4,4'-diisopropoxydiphenylsulfone (116763-20-3) → 4-Hydroxyphenyl-4'-isopropoxyphenylsulfone (95235-30-6)

Guidance literature:

With potassium hydroxide; 1,3-dimethyl-2-(N',N',N",N"-tetramethylguanidino)-4,5-dihydro-3H-imidazolium chloride; In water; isopropyl alcohol; at 130 ℃; for 5h; Temperature; Reagent/catalyst; Autoclave;

Reference yield: 72.0%

2-iodo-propane (75-30-9) + 4,4'-sulfonediphenol (80-09-1,59790-00-0) → 4-Hydroxyphenyl-4'-isopropoxyphenylsulfone (95235-30-6)

Guidance literature:

With sodium hydroxide; In water;

Reference yield: 70.0%

4,4'-sulfonediphenol (80-09-1,59790-00-0) + isopropyl bromide (75-26-3) → 4-Hydroxyphenyl-4'-isopropoxyphenylsulfone (95235-30-6)

Guidance literature:

With sodium hydroxide; sulfuric acid; In water; toluene;

upstream raw materials:

4,4'-sulfonediphenol

isopropyl bromide

2-iodo-propane

4,4'-diisopropoxydiphenylsulfone

Refernces

• 1、 -. "Method for preparing 4-hydroxy-4'-isopropoxydiphenyl sulfone from 4,4'-diisopropoxydiphenyl sulfone". Paragraph 0015-0020. . Retrieved 2020/05/01.
• 2、 Terasaki, Masanori,Shiraishi, Fujio,Fukazawa, Hitoshi,Makino, Masakazu. "Occurrence and estrogenicity of phenolics in paper-recycling process water: Pollutants originating from thermal paper in waste paper". . p. 2356 - 2366. Retrieved 2008/03/14.