3,4-Dimethylbenzophenone

Base Information

• Chemical Name: 3,4-Dimethylbenzophenone
• CAS No.: 2571-39-3
• Molecular Formula: C15H14O
• Molecular Weight: 210.276
• Hs Code.: 29143990
• European Community (EC) Number: 219-916-9
• NSC Number: 10172
• DSSTox Substance ID: DTXSID90180401
• Nikkaji Number: J192.076F
• Wikidata: Q72469420
• Mol file: 2571-39-3.mol

Synonyms:3,4-Dimethylbenzophenone;2571-39-3;(3,4-Dimethylphenyl)(phenyl)methanone;Methanone, (3,4-dimethylphenyl)phenyl-;(3,4-dimethylphenyl)-phenylmethanone;MFCD00008525;3,4-Dimethylbenzophenone, 99%;EINECS 219-916-9;NSC10172;Benzophenone, 3,4-dimethyl-;SCHEMBL166495;JENOLWCGNVWTJN-UHFFFAOYSA-;DTXSID90180401;NSC 10172;NSC-10172;AKOS001046622;DS-4965;(3,4-Dimethyl-phenyl)-phenyl-methanone;NCGC00329311-01;(3,4-Dimethylphenyl)(phenyl)methanone #;SY011600;CS-0153008;D3289;FT-0614375;FT-0659902;D90168;AB01101914-03;W-107223;Z57023712

Chemical Property of 3,4-Dimethylbenzophenone

Chemical Property:

• Melting Point: 45-47 °C(lit.)
• Refractive Index: 1.5361 (estimate)
• Boiling Point: 354.107 °C at 760 mmHg
• Flash Point: 153.656 °C
• PSA: 17.07000
• Density: 1.051 g/cm³
• LogP: 3.53440
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

99.0% ^*data from raw suppliers

(3,4-Dimethylphenyl)(phenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25-22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C

Technology Process of 3,4-Dimethylbenzophenone

There total 34 articles about 3,4-Dimethylbenzophenone 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: 93.0%

o-xylene (95-47-6) + benzoyl chloride (98-88-4) → (3,4-dimethylphenyl)(phenyl)methanone (2571-39-3)

Guidance literature:

With bismuth(III) chloride; at 120 ℃; for 12h;

DOI:10.1016/S0040-4039(03)00215-6

Reference yield: 92.0%

1-phenyl-1-(3,4-dimethylphenyl)ethylene (38112-01-5) → (3,4-dimethylphenyl)(phenyl)methanone (2571-39-3)

Guidance literature:

With iron(III) chloride; potassium sulfide; oxygen; In N,N-dimethyl-formamide; at 80 ℃; for 14h; under 760.051 Torr;

DOI:10.1021/acs.orglett.1c01408

Reference yield: 92.0%

3,4-dimethyl phenylboronic acid (55499-43-9) + Benzoylformic acid (611-73-4) → (3,4-dimethylphenyl)(phenyl)methanone (2571-39-3)

Guidance literature:

With silver carbonate; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1039/c4ra04361h

upstream raw materials:

2-(3,4-dimethylbenzoyl)benzoic acid

o-xylene

benzoyl chloride

benzoic acid

Downstream raw materials:

3.4-dimethyl-benzophenone-[(2.4-dinitro-phenyl)-seqtrans-hydrazone]

4-benzyl-1,2-dimethylbenzene

3,4-dimethylbenzamide

benzamide

Refernces

• 1、 Xie, Pan,Xue, Cheng,Du, Dongdong,Shi, SanShan. "Photo-induced oxidative cleavage of C-C double bonds for the synthesis of biaryl methanoneviaCeCl3catalysis". supporting information. p. 6781 - 6785. Retrieved 2021/08/20.
• 2、 Zhu, Xianjin,Liu, Can,Liu, Yong,Yang, Haijun,Fu, Hua. "A sodium trifluoromethanesulfinate-mediated photocatalytic strategy for aerobic oxidation of alcohols". . p. 12443 - 12446. Retrieved 2020/10/30.