Diphenylmethane

Base Information

• Chemical Name: Diphenylmethane
• CAS No.: 101-81-5
• Molecular Formula: C13H12
• Molecular Weight: 168.238
• Hs Code.: Oral rat: LD50: 2250 mg/kg
• European Community (EC) Number: 202-978-6
• NSC Number: 4708
• UNII: K3E387I0BC
• DSSTox Substance ID: DTXSID1041891
• Nikkaji Number: J3.597A
• Wikipedia: Diphenylmethane
• Wikidata: Q412882,Q83069339
• ChEMBL ID: CHEMBL1796022
• Mol file: 101-81-5.mol

Synonyms:diphenylmethane

Chemical Property of Diphenylmethane

Chemical Property:

• Appearance/Colour: colorless to pale yellow low melting solid
• Vapor Pressure: <1 mm Hg ( 77 °C)
• Melting Point: 24.5 °C
• Refractive Index: n20/D 1.577(lit.)
• Boiling Point: 264.3 °C at 760 mmHg
• PKA: 33.5(at 25℃)
• Flash Point: 104.9 °C
• PSA: 0.00000
• Density: 0.996 g/cm³
• LogP: 3.27740
• Storage Temp.: Store below +30°C.
• Solubility.: Soluble in ethanol, ether, benzene and chloroform.
• Water Solubility.: 14.1mg/L(25 oC)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 168.093900383
• Heavy Atom Count: 13
• Complexity: 111

Purity/Quality:

99% ^*data from raw suppliers

Benzylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25-58-54-44-29

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2
• Uses: Diphenylmethane is widely used in the synthesis of luminogens for aggregation-induced emission (AIE). It is used in the preparation of a polymerization initiator, diphenylmethyl potassium (DPMK). It is one of the precursors in the synthesis of a dendrimeric polycyclic aromatic hydrocarbon (PAH), hexakis[4-(1,1,2-triphenyl-ethenyl)phenyl]benzene. Diphenylmethane, is used as an adhesive chemical composition for making flexible laminates for use in food packaging.

Technology Process of Diphenylmethane

There total 1220 articles about Diphenylmethane 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: 54.0%

3-benzyl-4-phenyl-1,2,3-oxadiazol-3-ium-5-olate (20067-23-6) → Diphenylmethane (101-81-5) + benzoic acid benzyl ester (120-51-4) + benzyl oxo(phenyl)acetate (62977-82-6) + benzaldehyde (100-52-7) + benzoic acid (65-85-0,8013-63-6) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With oxygen; In benzene; for 336h; Product distribution; Ambient temperature;

DOI:10.1021/jo00157a011

Reference yield: 52.7%

dichloromethane (75-09-2) + phenylmagnesium chloride (100-59-4) → ethylbenzene (100-41-4,27536-89-6) + Diphenylmethane (101-81-5) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With C₃₁H₃₇ClN₃NiO₂^(1-)*Li⁽¹⁺⁾; In tetrahydrofuran; at 25 ℃; for 0.333333h; Overall yield = 99.5 %; Inert atmosphere;

DOI:10.1016/j.molcata.2012.07.007

Reference yield: 10.0%

isoquinoline (119-65-3) + N-benzoyl benzophenone hydrazone (7355-77-3) → N-phenyl benzoyl amide (93-98-1,5705-51-1) + benzophenone (119-61-9) + 1-phenylisoquinoline (3297-72-1) + Diphenylmethane (101-81-5) + N-(diphenylmethylidene)phenylamine (574-45-8) + benzonitrile (100-47-0) + benzil (134-81-6) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

at 200 ℃; for 10h;

DOI:10.1007/s00706-011-0532-4

upstream raw materials:

tetrahydrofuran

ethanol

1,1,2,2-tetraphenyl-ethanol

sodium ethanolate

Downstream raw materials:

1-(3,3-diphenylpropyl)pyrrolidine

4-(3,3-diphenylpropyl)morpholine

4,4'-dioxo-4,4'-(4,4'-methanediyl-di-phenyl)-di-trans-crotonic acid

4-(diphenylmethylene)-4-oxobutanoic acid

Refernces

tert-Butyl Hydroperoxide-Pyridinium Dichromate: A Convenient Reagent System for Allylic and Benzylic Oxidations

10.1021/jo00231a046

The research focuses on the development of a more efficient and convenient method for allylic and benzylic oxidations using a reagent system comprised of tert-butyl hydroperoxide and pyridinium dichromate. The purpose of this study was to address the drawbacks of traditional chromium(VI)-based oxidation methods, such as the use of large excess reagents, large volumes of solvents, and long reaction times. The researchers found that the combination of these two reagents in a 1:1 molar ratio effectively facilitated the oxidation process under mild conditions, yielding high conversion rates and product yields. The chemicals used in the process included tert-butyl hydroperoxide, pyridinium dichromate, and various substrates such as cholesteryl acetate, dicyclopentadiene, citronellol acetate, 1-phenylcyclohexene, α-pinene, A3-carene, cycloheptene, limonene, fluorene, diphenylmethane, and tetralin, among others. The conclusions of the research highlighted the utility and simplicity of the tert-butyl hydroperoxide-pyridinium dichromate method, suggesting its potential for wide application in organic synthesis.

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