2-Benzyltoluene

Base Information

• Chemical Name: 2-Benzyltoluene
• CAS No.: 713-36-0
• Molecular Formula: C14H14
• Molecular Weight: 182.265
• Hs Code.: 2902900000
• European Community (EC) Number: 211-927-7
• NSC Number: 75366
• UNII: M5THG68A7C
• DSSTox Substance ID: DTXSID40892047
• Nikkaji Number: J116.805C
• Wikidata: Q27283518
• Mol file: 713-36-0.mol

Synonyms:monobenzyl toluene;monobenzyltoluene

Chemical Property of 2-Benzyltoluene

Chemical Property:

• Melting Point: 6.64°C
• Refractive Index: 1.5740
• Boiling Point: 279.6 °C at 760 mmHg
• Flash Point: 122.3 °C
• PSA: 0.00000
• Density: 0.984 g/cm³
• LogP: 3.58580
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 182.109550447
• Heavy Atom Count: 14
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

1-Benzyl-2-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: CC1=CC=CC=C1CC2=CC=CC=C2

Technology Process of 2-Benzyltoluene

There total 241 articles about 2-Benzyltoluene 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: 99.0%

furan-2-carboxylic acid benzyl ester (5380-40-5) + toluene (108-88-3,15644-74-3,16713-13-6) → 2-furanoic acid (88-14-2) + 1-methyl-3-(phenylmethyl)-benzene (620-47-3) + 1-methyl-4-(phenylmethyl)benzene (620-83-7) + 2-benzyltoluene (713-36-0)

Guidance literature:

With boron trifluoride diethyl etherate; water; at 80 ℃; for 2h; regioselective reaction;

DOI:10.1039/c4ra04059g

Reference yield: 99.0%

benzyl naphthalene-2-carboxylate (53531-11-6) + toluene (108-88-3,15644-74-3,16713-13-6) → 1-methyl-3-(phenylmethyl)-benzene (620-47-3) + 1-methyl-4-(phenylmethyl)benzene (620-83-7) + 2-benzyltoluene (713-36-0) + naphthalene-2-carboxylate (93-09-4)

Guidance literature:

With boron trifluoride diethyl etherate; water; at 80 ℃; for 2h; regioselective reaction;

DOI:10.1039/c4ra04059g

Reference yield: 99.0%

thiophene-2-carboxylic acid benzyl ester + toluene (108-88-3,15644-74-3,16713-13-6) → 2-thiophenylcarboxylic acid (527-72-0) + 1-methyl-3-(phenylmethyl)-benzene (620-47-3) + 1-methyl-4-(phenylmethyl)benzene (620-83-7) + 2-benzyltoluene (713-36-0)

Guidance literature:

With boron trifluoride diethyl etherate; water; at 80 ℃; for 2h; regioselective reaction;

DOI:10.1039/c4ra04059g

upstream raw materials:

2-methylbenzhydrol

2-Methylbenzophenone

ethyl 2-benzoylbenzoate

benzyl chloride

Downstream raw materials:

(2-Methyldiphenylmethyl)lithium

anthracene

4-carboxybenzophenone

(+/-)-cis-1-cyclohexylmethyl-2-methyl-cyclohexane

Refernces

• 1、 Gu, Xianmo,Sun, Xichen,Wang, Yunwei,Zhang, Jin,Zheng, Zhanfeng,Zhu, Pengqi. "Multifunctional oxygen vacancies in WO3–x for catalytic alkylation of C–H by alcohols under red-light". . p. 208 - 217. Retrieved 2021/09/06.
• 2、 Lv, Fang,Xiao, Jing,Xiang, Junchun,Guo, Fengzhe,Tang, Zi-Long,Han, Li-Biao. "Conversion of Aryl Aldehydes to Benzyl Iodides and Diarylmethanes by H3PO3/I2". . p. 3081 - 3088. Retrieved 2021/02/01.