4,4'-Diacetyldiphenylmethane

Base Information

• Chemical Name: 4,4'-Diacetyldiphenylmethane
• CAS No.: 790-82-9
• Molecular Formula: C17H16 O2
• Molecular Weight: 252.313
• Hs Code.: 2914399090
• European Community (EC) Number: 651-446-3
• NSC Number: 43085
• DSSTox Substance ID: DTXSID60285876
• Nikkaji Number: J1.561.665B
• Wikidata: Q81977487
• ChEMBL ID: CHEMBL1567845
• Mol file: 790-82-9.mol

Synonyms:4,4'-Diacetyldiphenylmethane;790-82-9;Bis(4-acetylphenyl)methane;1-[4-[(4-acetylphenyl)methyl]phenyl]ethanone;1-[4-(4-Acetylbenzyl)phenyl]ethanone;1-{4-[(4-acetylphenyl)methyl]phenyl}ethanone;NSC43085;MLS000719977;SCHEMBL6859304;CHEMBL1567845;DTXSID60285876;UTELZOWACOGDKG-UHFFFAOYSA-N;HMS2590M08;MFCD00053708;NSC-43085;AKOS001570587;FS-4466;1-[4-(4-Acetylbenzyl)phenyl]ethanone #;SMR000304506;CS-0357992;FT-0676442;1-[4-(4-ACETYLBENZYL)PHENYL]-1-ETHANONE;SR-01000393252;SR-01000393252-1;1,1'-(Methylenebis(4,1-phenylene))bis(ethan-1-one)

Chemical Property of 4,4'-Diacetyldiphenylmethane

Chemical Property:

• Melting Point: 93°C
• Boiling Point: 423.2oC at 760 mmHg
• Flash Point: 158.2oC
• PSA: 34.14000
• Density: 1.088g/cm3
• LogP: 3.68260
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 252.115029749
• Heavy Atom Count: 19
• Complexity: 286

Purity/Quality:

98%min ^*data from raw suppliers

4,4'-Diacetyldiphenylmethane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)C

Technology Process of 4,4'-Diacetyldiphenylmethane

There total 8 articles about 4,4'-Diacetyldiphenylmethane 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%

1-{4-[(4-acetyl-phenyl)-hydroxy-methyl]-phenyl}-ethanone → bis(4-acetylphenyl)methane (790-82-9)

Guidance literature:

With chloro-trimethyl-silane; sodium iodide; In acetonitrile; at 20 ℃; for 0.25h;

DOI:10.1039/b102495g

Reference yield: 84.0%

morpholine (110-91-8,99108-56-2) + para-chloroacetophenone (99-91-2) → 4-morpholinoacetophenone (39910-98-0) + bis(4-acetylphenyl)methane (790-82-9)

Guidance literature:

With potassium hydroxide; bis(tri-tert-butylphosphine)palladium⁽⁰⁾; cetyltrimethylammonim bromide; In water; toluene; at 90 ℃; for 6h;

DOI:10.1021/jo0258913

Reference yield: 83.0%

Diphenylmethane (101-81-5) + acetyl chloride (75-36-5) → bis(4-acetylphenyl)methane (790-82-9)

Guidance literature:

acetyl chloride; With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 0.333333h;

Diphenylmethane; In dichloromethane; at 0 ℃; for 3.5h;

DOI:10.1134/S1070427211100181

upstream raw materials:

Diphenylmethane

acetyl chloride

aluminium trichloride

4-Iodoacetophenone

Downstream raw materials:

bis-(4-bromoacetyl-phenyl)-methane

1,1',1'',1'''-(ethene-1,1,2,2-tetrayltetrakis(benzene-4,1-diyl))tetrakis(ethan-1-one)

bis(4-vinylphenyl)methane

bis(4-ethylphenyl)methanone

Refernces

• 1、 Eliseev,Nelen. "Use of molecular recognition to drive chemical evolution. 1. Controlling the composition of an equilibrating mixture of simple arginine receptors". . p. 1147 - 1148. Retrieved 1997.
• 2、 Itami, Kenichiro,Mineno, Masahiro,Kamei, Toshiyuki,Yoshida, Jun-Ichi. "A general and straightforward route toward diarylmethanes. Integrated cross-coupling reactions using (2-pyridyl)silylmethylstannane as an air-stable, storable, and versatile coupling platform". . p. 3635 - 3638. Retrieved 2007/10/03.