1,1-Diphenylethanol

Base Information

• Chemical Name: 1,1-Diphenylethanol
• CAS No.: 599-67-7
• Molecular Formula: C14H14O
• Molecular Weight: 198.265
• Hs Code.: 29062990
• European Community (EC) Number: 209-970-1
• NSC Number: 33
• UNII: 8V681BNM35
• DSSTox Substance ID: DTXSID0060519
• Nikkaji Number: J96.138H
• Wikidata: Q27459202
• Mol file: 599-67-7.mol

Synonyms:1,1-Diphenylethanol;599-67-7;Methyldiphenylcarbinol;Diphenylmethylcarbinol;1,1-diphenylethan-1-ol;1,1-Diphenyl-1-ethanol;Benzhydrol, .alpha.-methyl-;Benzenemethanol, .alpha.-methyl-.alpha.-phenyl-;alpha-Methylbenzhydrol;.alpha.-Methylbenzhydrol;alpha-Methylbenzhydryl alcohol;NSC 33;NSC-33;8V681BNM35;EINECS 209-970-1;MFCD00004450;AI3-05842;Benzenemethanol, alpha-methyl-alpha-phenyl-;NSC33;1,1-diphenyl-ethanol;Benzhydrol, alpha-methyl-;1,1-Diphenylethanol, 98%;SCHEMBL249404;UNII-8V681BNM35;DTXSID0060519;AMY25720;Benzenemethanol, a-methyl-a-phenyl-;AC8427;ICCB1_000119;1-HYDROXY-1,1-DIPHENYLETHANE;AKOS003241981;AS-62164;SY033277;CS-0154093;D0295;FT-0606145;A832556;.ALPHA.-METHYL-.ALPHA.-PHENYLBENZENEMETHANOL;W-105292;Q27459202

Chemical Property of 1,1-Diphenylethanol

Chemical Property:

• Appearance/Colour: white to off-white powder or needles
• Vapor Pressure: 7.79E-05mmHg at 25°C
• Melting Point: 77-81 °C(lit.)
• Refractive Index: 1.581
• Boiling Point: 328.2 ºC at 760 mmHg
• PKA: 13.61±0.29(Predicted)
• Flash Point: 141.4 ºC
• PSA: 20.23000
• Density: 1.079 g/cm³
• LogP: 2.94240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 170

Purity/Quality:

98% ^*data from raw suppliers

1,1-Diphenylethanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=C2)O
• Uses: 1,1-Diphenylethanol was used to study the ESR spectra of the spiro-cyclohexadienyl intermediate in the alkoxyl radicals.

Technology Process of 1,1-Diphenylethanol

There total 170 articles about 1,1-Diphenylethanol 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: 100.0%

bromobenzene (108-86-1,52753-63-6) + acetophenone (98-86-2) → 1,1-diphenylethanol (599-67-7)

Guidance literature:

With iodine; magnesium; In tetrahydrofuran; 1.) reflux; 2.) 20 deg C then 22 deg C;

DOI:10.1016/0040-4020(95)00659-V

Reference yield: 95.0%

iodobenzene (591-50-4) + ethyl acetate (141-78-6) → 1,1-diphenylethanol (599-67-7)

Guidance literature:

With magnesium; copper(II) oxide; In tetrahydrofuran; at 65 ℃; for 4h; chemoselective reaction;

DOI:10.1016/j.tetlet.2013.12.042

Reference yield: 94.0%

acetophenone (98-86-2) + phenylmagnesium bromide (100-58-3) → 1,1-diphenylethanol (599-67-7)

Guidance literature:

phenylmagnesium bromide; With diethylene glycol dimethyl ether; tetrabutyl-ammonium chloride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

acetophenone; In tetrahydrofuran; at 0 ℃; for 2.5h; Inert atmosphere;

DOI:10.1021/jo3004277

upstream raw materials:

4-methyleneoxetan-2-one

diethyl ether

methyl magnesium iodide

benzophenone

Downstream raw materials:

1-methoxy-1,1-diphenylethane

1,1-Diphenylethylene

methyldiphenyl(4-hydroxyphenyl)methane

1-<α-Methyl-benzhydryl>-azulen

Refernces

• 1、 Kauffmann. "-". . p. 556. Retrieved 1906.
• 2、 Tipparaju, Suresh Kumar,Mandal, Sunil K.,Sur, Surojit,Puranik, Vedavati G.,Sarkar, Amitabha. "Cleavage of Si-Ar bond vs Si-Me bond: A remarkable counterion effect on reactivity". . p. 1924 - 1925. Retrieved 2002.
• 3、 Fusco, Caterina,Florentino, Michele,Dinoi, Anna,Curci, Ruggero,Krause, Ralph A.,Kuck, Dietmar. "Oxyfunctionalization of non-natural targets by dioxiranes. 2. Selective bridgehead dihydroxylation of fenestrindane". . p. 8681 - 8684. Retrieved 1996.
• 4、 Ashby,Laemmle. "". . p. 3398. Retrieved 1968.
• 5、 Quivelli, Andrea F.,D'Addato, Giovanna,Vitale, Paola,García-álvarez, Joaquín,Perna, Filippo M.,Capriati, Vito. "Expeditious and practical synthesis of tertiary alcohols from esters enabled by highly polarized organometallic compounds under aerobic conditions in Deep Eutectic Solvents or bulk water". . . Retrieved 2021/01/18.
• 6、 Ottenbacher, Roman V.,Bryliakova, Anna A.,Shashkov, Mikhail V.,Talsi, Evgenii P.,Bryliakov, Konstantin P.. "To Rebound or...Rebound? Evidence for the "alternative Rebound" mechanism in Ca'H Oxidations by the systems nonheme Mn Complex/H2O2/carboxylic acid". . p. 5517 - 5524. Retrieved 2021/05/31.