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233587

1-tert-Butyl-3,5-dimethylbenzene

Name: 1-<I>tert</I>-Butyl-3,5-dimethylbenzene
Brand: ALDRICH

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

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Properties

Quality Level

100

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.)

SMILES string

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

InChI

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

InChI key

FZSPYHREEHYLCB-UHFFFAOYSA-N

Description

General description

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

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.

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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Metal-free direct oxidative intermolecular diarylation of anilides at ambient temperature assisted by cascade selective formation of C-C and C-N bonds.

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.

Discovery of 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride as a deoxofluorinating agent with high thermal stability as well as unusual resistance to aqueous hydrolysis, and its diverse fluorination capabilities including deoxofluoro-arylsulfinylation with high stereoselectivity.

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

Global Trade Item Number

SKU	GTIN
233587-100G	04061837704017
233587-500G	04061837704024