1H-Inden-5-ol, 2,3-dihydro-3-(4-hydroxyphenyl)-1,1,3-trimethyl-

Base Information

• Chemical Name: 1H-Inden-5-ol, 2,3-dihydro-3-(4-hydroxyphenyl)-1,1,3-trimethyl-
• CAS No.: 10527-11-4
• Deprecated CAS: 67746-69-4
• Molecular Formula: C18H20 O2
• Molecular Weight: 268.356
• Hs Code.: 2907299090
• European Community (EC) Number: 234-085-2
• DSSTox Substance ID: DTXSID70884490
• Nikkaji Number: J52.219H
• Mol file: 10527-11-4.mol

Synonyms:10527-11-4;3-(4-Hydroxyphenyl)-1,1,3-trimethyl-2,3-dihydro-1H-inden-5-ol;1H-Inden-5-ol, 2,3-dihydro-3-(4-hydroxyphenyl)-1,1,3-trimethyl-;3-(4-Hydroxyphenyl)-1,1,3-trimethylindan-5-ol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;EINECS 234-085-2;3-(p-Hydroxyphenyl)-1,1,3-trimethyl-5-indanol;bisphenol Indane;SCHEMBL728580;DTXSID70884490;AKOS015856499;FT-0655492;1,3,3-Trimethyl-1-(4'-hydroxyphenyl)indan-6-ol;1-(4-Hydroxyphenyl)-1,3,3-trimethylindan-6-ol;A801184;1,3,3-Trimethylindan-6-ol, 2-(4-hydroxyphenyl)-;3-(4-Hydroxyphenyl)-1,1,3-trimethyl-5-indanol #;1,1,3-trimethyl-1-(4-hydroxy phenyl) indane-6-ol;3-(4-hydroxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1h-indene-5-ol

Chemical Property of 1H-Inden-5-ol, 2,3-dihydro-3-(4-hydroxyphenyl)-1,1,3-trimethyl-

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 8.78E-08mmHg at 25°C
• Melting Point: 194-195 °C
• Refractive Index: 1.597
• Boiling Point: 423.8 °C at 760 mmHg
• PKA: 10.06±0.30(Predicted)
• Flash Point: 197.9
• PSA: 40.46000
• Density: 1.135 g/cm³
• LogP: 4.08510
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 268.146329876
• Heavy Atom Count: 20
• Complexity: 356

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(4-Hydroxyphenyl)-1,1,3-trimethyl-5-indanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C2=C1C=CC(=C2)O)(C)C3=CC=C(C=C3)O)C
• Uses: 3-(4-Hydroxyphenyl)-1,1,3-trimethyl-5-indanol is a compound derived from Bisphenol A (B519495), a chemical used in the manufacturing of polycarbonate plastics that has effects on reproductive health, body weight, and plasma LH levels in female Sprague-Dawley rats.

Technology Process of 1H-Inden-5-ol, 2,3-dihydro-3-(4-hydroxyphenyl)-1,1,3-trimethyl-

There total 10 articles about 1H-Inden-5-ol, 2,3-dihydro-3-(4-hydroxyphenyl)-1,1,3-trimethyl- 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: 88.36%

BPA (80-05-7) → 5-hydroxy-3-(4-hydroxyphenyl)-1,1,3-trimethylindane (10527-11-4)

Guidance literature:

BPA; With nitric acid; at 20 ℃; for 0.333333h;

With trifluoroacetic acid; at 25 ℃; for 2h; Temperature; Reagent/catalyst;

Reference yield:

BPA (80-05-7) + 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine (940-71-6,16422-79-0) → 4-isopropenylphenol (4286-23-1,64054-77-9) + 5-hydroxy-3-(4-hydroxyphenyl)-1,1,3-trimethylindane (10527-11-4) + 2,4-bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol (2300-15-4) + 2-[1-(4-hydroxyphenyl)-1-methylethyl]-phenol (837-08-1) + phenol (108-95-2,27073-41-2)

Guidance literature:

With potassium carbonate; In chlorobenzene; at 170 ℃; for 2h;

DOI:10.1134/S1070427213120161

Reference yield:

2,2-bis(methylthio)propane (6156-18-9) + acetone (67-64-1) + phenol (108-95-2,27073-41-2) → BPA (80-05-7) + C27H30O3 (287110-79-6) + methylthiol (74-93-1) + 2,2-bis(2-hydroxyphenyl)-propane (7559-72-0) + 5-hydroxy-3-(4-hydroxyphenyl)-1,1,3-trimethylindane (10527-11-4) + 2,4-bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol (2300-15-4) + 4-methyl-4-methylthio-2-pentanone (23550-40-5) + 2-[1-(4-hydroxyphenyl)-1-methylethyl]-phenol (837-08-1) + 5-hydroxy-1-(4'-hydroxyphenyl)-1,3,3-trimethylindan (109252-41-7)

Guidance literature:

strongly acidic 2percent cross linked sulfonated styrene divinylbenzene cationic gel exchange resin CT₁₂₂; In water; at 75 ℃; for 3h; Product distribution / selectivity;

upstream raw materials:

1,1,3-trimethyl-3-phenylindane

methylthiol

acetone

phenol

Downstream raw materials:

butyric acid 3-(4-hydroxy-phenyl)-1,1,3-trimethyl-indan-5-yl ester

butyric acid 3-(4-butyryloxy-phenyl)-1,1,3-trimethyl-indan-5-yl ester

Refernces

• 1、 Terasaki, Masanori,Shiraishi, Fujio,Nishikawa, Tomohiro,Morita, Masatoshi,Makino, Masakazu. "A practical synthesis and estrogenic activity of 5-hydroxy-1-(4′- hydroxyphenyl)-1,3,3-trimethylindan, a contaminant in industrial grade bisphenol A". . p. 188 - 189. Retrieved 2005.
• 2、 -. "Novel aromatic diamine monomer with dissymmetry indan structure and preparation method of novel aromatic diamine monomer". Paragraph 0038-0040; 0045; 0046; 0049; 0050; 0053; 0054. . Retrieved 2020/02/19.
• 3、 -. "PROCESS FOR THE MANUFACTURE OF POLYPHENOLS". Page/Page column 7. . Retrieved 2009/06/27.