4-TERT-BUTYL-O-XYLENE

Base Information

• Chemical Name: 4-TERT-BUTYL-O-XYLENE
• CAS No.: 7397-06-0
• Molecular Formula: C12H18
• Molecular Weight: 162.275
• Hs Code.: 29029000
• European Community (EC) Number: 625-953-5
• DSSTox Substance ID: DTXSID7064659
• Nikkaji Number: J208.149K
• Wikidata: Q81991748
• Mol file: 7397-06-0.mol

Synonyms:o-Xylene,4-tert-butyl- (6CI,7CI,8CI);1,2-Dimethyl-4-(1,1-dimethylethyl)benzene;1,2-Dimethyl-4-tert-butylbenzene;1-tert-Butyl-3,4-dimethylbenzene;3,4-Dimethyl-1-tert-butylbenzene;4-tert-Butyl-1,2-dimethylbenzene;4-tert-Butyl-o-xylene;

Chemical Property of 4-TERT-BUTYL-O-XYLENE

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.207mmHg at 25°C
• Melting Point: -25.43°C (estimate)
• Refractive Index: n20/D 1.498(lit.)
• Boiling Point: 216.3 °C at 760 mmHg
• Flash Point: 78.3 °C
• PSA: 0.00000
• Density: 0.86 g/cm³
• LogP: 3.60090
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 162.140850574
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-tert-Butyl-o-xylene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(C)(C)C)C

Technology Process of 4-TERT-BUTYL-O-XYLENE

There total 28 articles about 4-TERT-BUTYL-O-XYLENE 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: 99.3%

tertiary butyl chloride (507-20-0) + o-xylene (95-47-6) → 4-t-butyl-o-xylene (7397-06-0)

Guidance literature:

With iodine; at 50 ℃; Temperature;

Reference yield: 98.0%

t-butyl bromide (507-19-7) + o-xylene (95-47-6) → 4-t-butyl-o-xylene (7397-06-0)

Guidance literature:

With pyrographite; for 24h; Heating;

DOI:10.1016/j.tetlet.2004.08.026

Reference yield: 98.0%

o-xylene (95-47-6) + tert-Butyl iodide (558-17-8) → 4-t-butyl-o-xylene (7397-06-0)

Guidance literature:

pyrographite; for 24h; Heating;

DOI:10.1016/j.tet.2007.05.005

upstream raw materials:

2,4,4-trimethyl-1-pentene

o-xylene

tertiary butyl chloride

1-methyl-2-chloromethyl-4-(1,1-dimethylethyl)benzene

Downstream raw materials:

5-tert-butyl-1-isopropyl-2,3-dimethyl-benzene

1-sec-butyl-5-tert-butyl-2,3-dimethyl-benzene

5-tert-butyl-1-cyclopentyl-2,3-dimethyl-benzene

5-tert-butyl-2,3-dimethylbenzyl chloride

Refernces

• 1、 ?apok, ?ukasz,Siudak, Alicja,Nowakowska, Maria. "An improved synthesis, characterization, and X-ray studies of 5-tert-butyl-3-nitrophthalonitrile". supporting information. p. 3816 - 3818. Retrieved 2013/07/05.
• 2、 Yamato, Takehiko,Hu, Jian-Yong. "Perfluorinated sulfonic acid resin (Nafion-H) catalysed trans-t-butylation of 7-t-butyl-1,3-disubstituted pyrenes; a new route for the preparation of 1,3-disubstituted pyrenes". . p. 762 - 765. Retrieved 2007/10/03.