ChemicalBook--->CAS DataBase List--->613-33-2

613-33-2

613-33-2 Structure

613-33-2 Structure
IdentificationMore
[Name]

4,4'-Dimethylbiphenyl
[CAS]

613-33-2
[Synonyms]

4,4'-BITOLUENE
4,4'-BITOLYL
4,4'-DIMETHYL-1,1'-BIPHENYL
4,4'-DIMETHYLBIPHENYL
4,4'-DIMETHYLDIPHENYL
P,P'-BITOLUENE
P,P'-BITOLYL
TIMTEC-BB SBB008499
1,1'-Biphenyl, 4,4'-dimethyl-
1-Methyl-4-(4'-methylphenyl)benzene
1-methyl-4-(4-methylphenyl)benzene
4,4'-Ditolyl
Bi-p-tolyl
Di-p-tolyl
p,p'-Ditolyl
4,4'-Dimethylbiphenyl,99%
4,4''-DIMETHYLBIPHENYL,98.5+%
4,4'-Dimethylbiphenyl
p,p'-Dimethylbiphenyl
[EINECS(EC#)]

210-337-7
[Molecular Formula]

C14H14
[MDL Number]

MFCD00008545
[Molecular Weight]

182.26
[MOL File]

613-33-2.mol
Chemical PropertiesBack Directory
[Appearance]

Crystalline
[Melting point ]

118-120 °C(lit.)
[Boiling point ]

295 °C(lit.)
[density ]

0.9170
[refractive index ]

1.5811 (estimate)
[Fp ]

295°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[color ]

White to light yellow
[Water Solubility ]

Insoluble in water.
[BRN ]

1856053
[InChI]

InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3
[InChIKey]

RZTDESRVPFKCBH-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=C(C)C=C2)=CC=C(C)C=C1
[LogP]

5.090
[CAS DataBase Reference]

613-33-2(CAS DataBase Reference)
[NIST Chemistry Reference]

4,4'-Dimethylbiphenyl(613-33-2)
Questions And AnswerBack Directory
[Synthesis]

4-Bromotoluene (86.4 mg, 0.5 mmol), phenyltrimethoxysilane (152 mg, 0.75 mmol), PS PdONPs (2.9 mg, 1.5 mol% Pd), TBAC (142 mg, 0.5 mmol), and aq NaOH solution (1.5 M, 1 mL) were added to a screw-capped vial with a stir bar. After stirring at 80°C for 3 h, the vial was immediately immersed in H2O (approximately 20°C) for about 10 min, and the reaction mixture was cooled to rt. After separating the catalyst and aqueous phase by centrifugation, the aqueous phase was decanted. The recovered catalyst was washed with H2O (5 × 3.0 mL) and Et2O (5 × 3.0 mL), and then added to the aqueous phase. The aqueous phase was extracted eight times with Et2O. The combined organic extracts were dried on MgSO4 and concentrated under reduced pressure to give the product 4,4'-dimethylbiphenyl. The product was analyzed by 1H NMR.


Synthetic route of 4,4'-dimethylbiphenyl

Figure 4,4'-dimethylbiphenyl

Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[REACH Registrations]

Inactive
[HS Code ]

29029090
[Storage Class]

10 - Combustible liquids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,4-dimethylbenzenesulfonyl chloride(613-33-2).msds
Hazard InformationBack Directory
[Chemical Properties]

Crystalline
[Uses]

4,4'-Dimethylbiphenyl is used in the preparation of biphenyl-4,4?-dicarboxylic acid, which acts as a monomer utilized in the synthesis of linear long chain polymer through polycondensation reaction. It is used to prepare 4-(4'-methylphenyl)benzaldehyde by selective photoxygenation reaction using 9-phenyl-10-methylacridinium perchlorate as a catalyst under visible light irradiation.
[Synthesis Reference(s)]

Tetrahedron Letters, 21, p. 631, 1980 DOI: 10.1016/S0040-4039(01)85577-5
Journal of the American Chemical Society, 90, p. 2423, 1968 DOI: 10.1021/ja01011a041
Spectrum DetailBack Directory
[Spectrum Detail]

4,4'-Dimethylbiphenyl(613-33-2)MS
4,4'-Dimethylbiphenyl(613-33-2)1HNMR
4,4'-Dimethylbiphenyl(613-33-2)13CNMR
4,4'-Dimethylbiphenyl(613-33-2)IR1
4,4'-Dimethylbiphenyl(613-33-2)IR2
4,4'-Dimethylbiphenyl(613-33-2)Raman
4,4'-Dimethylbiphenyl(613-33-2)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,4'-Dimethylbiphenyl, 97%(613-33-2)
[Alfa Aesar]

4,4'-Dimethylbiphenyl, 99%(613-33-2)
[Sigma Aldrich]

613-33-2(sigmaaldrich)
[TCI AMERICA]

4,4'-Dimethylbiphenyl,>95.0%(GC)(613-33-2)
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