Diphenylmethanol

Base Information

• Chemical Name: Diphenylmethanol
• CAS No.: 91-01-0
• Molecular Formula: C13H12O
• Molecular Weight: 184.238
• Hs Code.: 2907.29
• European Community (EC) Number: 202-033-8
• NSC Number: 32150
• UNII: S4HQ1H8OWD
• DSSTox Substance ID: DTXSID2059015
• Nikkaji Number: J3.920I
• Wikipedia: Diphenylmethanol
• Wikidata: Q418377
• ChEMBL ID: CHEMBL2386190
• Mol file: 91-01-0.mol

Synonyms:benzhydrol;benzohydrol;dicyclohexylmethanol

Chemical Property of Diphenylmethanol

Chemical Property:

• Appearance/Colour: off-white powder
• Vapor Pressure: 0.000548mmHg at 25°C
• Melting Point: 65-67 °C(lit.)
• Refractive Index: 1.599
• Boiling Point: 299 °C at 760 mmHg
• PKA: 13.55±0.20(Predicted)
• Flash Point: 140.8 °C
• PSA: 20.23000
• Density: 1.102 g/cm³
• LogP: 2.76830
• Storage Temp.: Store below +30°C.
• Solubility.: 0.52g/l insoluble
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.088815002
• Heavy Atom Count: 14
• Complexity: 137

Purity/Quality:

98% ^*data from raw suppliers

Benzhydrol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)O
• Uses: Benzhydrols are industrially important compounds. On oxidation Benzhydrols yields Benzophenone, which are useful synthones for fullerenes, bioactive oxygen heterocycles, dyes and medicines. Various Cr (VI) and other oxidizing agents are used for oxidizing benzhydrol. Benzhydrol is widely used as intermediates in pharmaceuticals (including antihistamines), agrochemicals, perfumes and other organic compounds. It is used as a fixative in the perfume industry. It is involved in polymerization reaction as a terminating group. It is used as precursor to prepare modafinil, benztropine and diphehydramine. Intermediate in the preparation of Modafinil (M482500). Anchoring of carboxylic acids and alcohols

Technology Process of Diphenylmethanol

There total 812 articles about Diphenylmethanol 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: 62.0%

N-Nitroso-N-benzylformamide (85995-49-9) + diphenylmagnesium (555-54-4) → phenyl benzyl ketone (451-40-1) + benzophenone (119-61-9) + 1,1-Diphenylmethanol (91-01-0) + biphenyl (92-52-4,1594-86-1) + Benzyl acetate (140-11-4) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With water; In diethyl ether; Product distribution; Ambient temperature;

DOI:10.1021/jo00163a012

Reference yield: 61.0%

N-Formylpiperidine (2591-86-8) + phenylmagnesium bromide → 1,1-Diphenylmethanol (91-01-0) + benzaldehyde (100-52-7)

Guidance literature:

In tetrahydrofuran; at 0 ℃; Product distribution; Formylation of Grignard reagents with different N-formyl amines;

DOI:10.1016/S0040-4039(00)86387-X

Reference yield: 60.0%

Triphenylethylene (58-72-0) → 1,1-Diphenylmethanol (91-01-0) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With sodium tetrahydroborate; oxygen; meso-tetraphenylporphyrin iron(III) chloride; In methanol; benzene; Ambient temperature;

DOI:10.1248/cpb.33.2175

upstream raw materials:

1,4-dioxane

1-Phenyl-1-butanol

aluminum tri-tert-butoxide

pyridine

Downstream raw materials:

benzophenone

1-Phenyl-1-butanol

(2-thienyl)diphenylmethane

2,5-bisbenzhydrylthiophene

Refernces

• 1、 Cohen,Stein. "". . p. 3690. Retrieved 1969.
• 2、 Suzuki, Takanori,Hanada, Keisuke,Katoono, Ryo,Ishigaki, Yusuke,Higasa, Sho,Higuchi, Hiroki,Kikuchi, Hirotsugu,Fujiwara, Kenshu,Yamada, Hidetoshi,Fukushima, Takanori. "Electrochiroptical response in aqueous media: 9,10-dihydrophenanthrene-9, 10-diyl dications with Michlar's hydrol blue chromophores attached with oligoethylene glycol units". . p. 982 - 984. Retrieved 2014.
• 3、 Yakabe, Shigetaka,Hirano, Masao,Morimoto, Takashi. "Alumina-assisted reduction of carbonyl compounds with sodium borohydride in hexane". . p. 1916 - 1921. Retrieved 1998.
• 4、 Donnelly, Kate F.,Segarra, Candela,Shao, Li-Xiong,Suen, Rachelle,Müller-Bunz, Helge,Albrecht, Martin. "Adaptive N-Mesoionic Ligands Anchored to a Triazolylidene for Ruthenium-Mediated (De)Hydrogenation Catalysis". . p. 4076 - 4084. Retrieved 2015.
• 5、 Bawane, Sunil P.,Sawant, Sudhirprakash B.. "Kinetics of liquid-phase catalytic hydrogenation of benzophenone to benzhydrol". . p. 769 - 773. Retrieved 2003.
• 6、 Walling,Bollyky. "". . p. 3750. Retrieved 1964.
• 7、 Anwar, Muhammad,Beller, Matthias,Dastgir, Sarim,Junge, Kathrin,Leonard, David K.,Ryabchuk, Pavel. "A Convenient and Stable Heterogeneous Nickel Catalyst for Hydrodehalogenation of Aryl Halides Using Molecular Hydrogen". . . Retrieved 2022/02/03.
• 8、 Li, Xu-Bing,Nan, Xiao-Lei,Tung, Chen-Ho,Wang, Yao,Wu, Li-Zhu. "Site-selective D2O-mediated deuteration of diaryl alcoholsviaquantum dots photocatalysis". supporting information. p. 6768 - 6771. Retrieved 2021/07/13.