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Merck
CN

233587

1-tert-Butyl-3,5-dimethylbenzene

98%

Synonym(s):

5-tert-Butyl-m-xylene, sym.-tert-Butyl-m-xylene

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About This Item

Linear Formula:
(CH3)3CC6H3(CH3)2
CAS Number:
98-19-1
Molecular Weight:
162.27
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24853985
EC Number:
202-647-6
Beilstein/REAXYS Number:
1853314
MDL number:
MFCD00008832
Assay:
98%
Form:
liquid

Key Documents

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Product Name

1-tert-Butyl-3,5-dimethylbenzene, 98%

InChI key

FZSPYHREEHYLCB-UHFFFAOYSA-N

InChI

1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3

SMILES string

Cc1cc(C)cc(c1)C(C)(C)C

assay

98%

form

liquid

refractive index

n20/D 1.495 (lit.)

bp

205-206 °C (lit.)

density

0.867 g/mL at 25 °C (lit.)

Quality Level

100

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Application

1-tert-Butyl-3,5-dimethylbenzene has been used in the synthesis of bulky, multi-alkylated diaryl disulfides such as bis(4-tert-butyl-2,6-dimethylphenyl) disulfide and bis(2,4,6-triisopropylphenyl) disulfide.

General description

1-tert-Butyl-3,5-dimethylbenzene participates in the cascade diarylation of N-phenylacetamides with non-prefunctionalized arenes.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

154.4 °F - closed cup

flash_point_c

68 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN4168
MKCK6071
MKCK0915
MKCD9215
MKCC0793

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Rajarshi Samanta et al.
Chemical communications (Cambridge, England), 48(26), 3194-3196 (2012-02-15)
A new atom-economical process of direct oxidative intermolecular functionalization of aniline derivatives by simple arenes was developed. The products were formed in a highly regioselective manner under metal-free conditions at ambient temperature.
Teruo Umemoto et al.
Journal of the American Chemical Society, 132(51), 18199-18205 (2010-12-04)
Versatile, safe, shelf-stable, and easy-to-handle fluorinating agents are strongly desired in both academic and industrial arenas, since fluorinated compounds have attracted considerable interest in many areas, such as drug discovery, due to the unique effects of fluorine atoms when incorporated

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