3-TERT-BUTYLTOLUENE

Base Information

• Chemical Name: 3-TERT-BUTYLTOLUENE
• CAS No.: 1075-38-3
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• Hs Code.: 2902909090
• Mol file: 1075-38-3.mol

Synonyms:3-tert-Butyltoluene;1-Methyl-3-tert-butylbenzene;1-tert-Butyl-3-methylbenzene;m-tert-Butyltoluene;Toluene, m-tert-butyl-;

Chemical Property of 3-TERT-BUTYLTOLUENE

Chemical Property:

• Vapor Pressure: 0.811mmHg at 25°C
• Melting Point: -41 °C
• Refractive Index: 1.485
• Boiling Point: 188.8 °C at 760 mmHg
• Flash Point: 60.5 °C
• PSA: 0.00000
• Density: 0.859 g/cm³
• LogP: 3.29250

Purity/Quality:

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

3-tert-Butyltoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-TERT-BUTYLTOLUENE

There total 67 articles about 3-TERT-BUTYLTOLUENE 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: 91.0%

phosphoric acid 2-tert-butyl-4-methylphenyl ester diethyl ester (952665-30-4) → m-t-butyltoluene (1075-38-3)

Guidance literature:

With ammonia; lithium; In diethyl ether; at -78 ℃; for 0.25h;

Reference yield: 84.0%

3-(2-Chloro-2-propyl)toluene (13240-60-3) + dimethyl zinc(II) (544-97-8) → m-t-butyltoluene (1075-38-3)

Guidance literature:

With zinc(II) chloride; In dichloromethane; at -78 ℃; for 0.5h;

DOI:10.1039/c39800001202

Reference yield: 70.0%

1-tert-butyl-2-methyl-benzene (1074-92-6) → 4-tert-butyltoluene (98-51-1) + m-t-butyltoluene (1075-38-3)

Guidance literature:

tris(trifluoromethanesulfonyloxy)boron; In dichloromethane; at 25 ℃; for 1h; Product distribution; investigation of the isomerization;

DOI:10.1021/ja00216a032

upstream raw materials:

1,4-di-tert-butylbenzene

isobutyryl chloride

toluene

2,4,4-trimethyl-1-pentene

Downstream raw materials:

4-tert-butyl-1-isopropyl-2-methyl-benzene

1-(4-tert-butyl-2-methyl-phenyl)-2-methyl-propan-1-one

3-(tert-butyl)benzaldehyde

4-(1,1-dimethylethyl)benzoic acid

Refernces

• 1、 Zhou, Zhiwei,Mao, Wei,Qin, Juan,Han, Tianpeng,Han, Chaofan,Wu, Wenliang. "Tert-Butylation of toluene with tert-butyl alcohol over immobilized titanium species on the Al-MCM-48". . p. 132 - 137. Retrieved 2015.
• 2、 Wang, Yuanyuan,Song, Hua,Sun, Xinglong. "Alkylation of toluene with tert-butyl alcohol over HPW-modified HΒ zeolite". . p. 2134 - 2141. Retrieved 2016.
• 3、 DeHaan, Franklin P.,Chan,Wai H.,Chang, Jeffrey,Ferrara, Daro M.,Wainschel, Larry A.. "Electrophilic Aromatic Substitution. 10. A Kinetic Study of the Friedel-Crafts tert-Butylation Reaction in Nitromethane". . p. 1591 - 1593. Retrieved 1986.
• 4、 Grosse,Mavity,Ipatieff. "-". . p. 448,454. Retrieved 1938.
• 5、 Olah et al.. "". . p. 2430,2431. Retrieved 1974.
• 6、 Verevkin, Sergey P.. "Thermochemical properties of branched alkylsubstituted benzenes". . p. 1029 - 1040. Retrieved 1998.
• 7、 Roberts,R.M.,McGuire,S.E.. "-". . p. 102 - 107. Retrieved 1970.
• 8、 Wang, Yuanyuan,Song, Hua,Sun, Xinglong. "Friedel-Crafts alkylation of toluene with tert-butyl alcohol over Fe2O3-modified Hβ". . p. 107239 - 107245. Retrieved 2016.
• 9、 Fuling Cheng,Zhou, Zhiwei,Qin, Juan,Li, Dong,Wang, Jianzong,Wu, Wenliang. "Framework-Substituted Sn-MOR Zeolite Prepared by Multiple pH-Adjusting Сo-Hydrolysis As Efficient Catalyst for tert-Butylation of Toluene". . p. 2640 - 2646. Retrieved 2018.
• 10、 Cacace, Fulvio,Ciranni, Giovanna. "Temperature Dependence of the Substrate and Positional Selectivity of the Aromatic Substitution by Gaseous tert-Butyl Cation". . p. 887 - 890. Retrieved 1986.