1-HEXADECYL-3-METHYLIMIDAZOLIUM CHLORIDE

Base Information

• Chemical Name: 1-HEXADECYL-3-METHYLIMIDAZOLIUM CHLORIDE
• CAS No.: 61546-01-8
• Molecular Formula: C₂₀H₃₉N₂*Cl
• Molecular Weight: 342.996
• European Community (EC) Number: 801-401-0
• NSC Number: 747260
• UNII: EQ4UWS7WUN
• DSSTox Substance ID: DTXSID8047923
• ChEMBL ID: CHEMBL595912
• Mol file: 61546-01-8.mol

Synonyms:1-HEXADECYL-3-METHYLIMIDAZOLIUM CHLORIDE;

Chemical Property of 1-HEXADECYL-3-METHYLIMIDAZOLIUM CHLORIDE

Chemical Property:

• Melting Point: 64-65 °C
• PSA: 8.81000
• LogP: 2.79790
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 342.2801769
• Heavy Atom Count: 23
• Complexity: 230

Purity/Quality:

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

1-Hexadecyl-3-methylimidazoliumChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]
• Uses: 1-Hexadecyl-3-methylimidazolium Chloride is used as a solvent in green chemistry due to it being comprised of ions, having close to zero vapor pressure and essentially existing as environmentally beni gn. Intermediate in the production of other methylimidazolium salts. 1-Hexadecyl-3-methylimidazolium Chloride is used as a solvent in green chemistry due to it being comprised of ions, having close to zero vapor pressure and essentially existing as environmentally benign. Intermediate in the production of other methylimidazolium salts.

Technology Process of 1-HEXADECYL-3-METHYLIMIDAZOLIUM CHLORIDE

There total 2 articles about 1-HEXADECYL-3-METHYLIMIDAZOLIUM CHLORIDE 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: 98.0%

1-methyl-1H-imidazole (616-47-7) + 1-Chlorohexadecan (4860-03-1) → 1-hexadecyl-3-methylimidazolium chloride (61546-01-8)

Guidance literature:

at 160 ℃; for 0.5h; Microwave irradiation; Neat (no solvent);

DOI:10.1016/j.tet.2009.11.110

Reference yield:

1-Chlorohexadecan (4860-03-1) → 1-hexadecyl-3-methylimidazolium chloride (61546-01-8)

Guidance literature:

upstream raw materials:

1-methyl-1H-imidazole

1-Chlorohexadecan

Refernces

• 1、 Baranova,Kosmynin,Savelova,Shendrik,Korotkikh,Raenko,Popov. "Effect of the structure of phase-transfer catalyst on the rate of alkaline hydrolysis of N-benzyloxycarbonylglycine 4-nitrophenyl ester in the system chloroform-borate buffer". . p. 378 - 384. Retrieved 2002.
• 2、 Wang, Tianlong,Fu, Ting,Meng, Yuting,Shen, Jing,Wang, Tongwen. "Long chain ionic liquid-assisted synthesis of PS/Pd beads and hierarchical porous Pd-SiO2". . p. 25141 - 25149. Retrieved 2018.
• 3、 Ma, Jianmin,Liu, Xiaodi,Lian, Jiabiao,Duan, Xiaochuan,Zheng, Wenjun. "Ionothermal synthesis of BiOCl Nanostructures via a long-chain ionic liquid precursor route". . p. 2522 - 2527. Retrieved 2010.
• 4、 Guerrero-Sanchez, Carlos,Erdmenger, Tina,Sereda, Petr,Wouters, Daan,Schubert, Ulrich S.. "Water-soluble ionic liquids as novel stabilizers in suspension polymerization reactions: Engineering polymer beads". . p. 9036 - 9045. Retrieved 2006.
• 5、 Pei, Yuanchao,Ru, Jie,Yao, Kaisheng,Hao, Lihui,Li, Zhiyong,Wang, Huiyong,Zhu, Xingqi,Wang, Jianji. "Nanoreactors stable up to 200 °c: A class of high temperature microemulsions composed solely of ionic liquids". supporting information. p. 6260 - 6263. Retrieved 2018/06/22.