CID 522265

Base Information

• Chemical Name: CID 522265
• CAS No.: 67-48-1
• Molecular Formula: C5H14ClNO
• Molecular Weight: 139.625
• Hs Code.: 2923.10
• Mol file: 67-48-1.mol

Synonyms:

Chemical Property of CID 522265

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: 302-305 °C (dec.)(lit.)
• Refractive Index: 1.5400 (estimate)
• PSA: 20.23000
• Density: 1.205 g/cm3
• LogP: -3.31110
• Storage Temp.: 0-6°C
• Sensitive.: Hygroscopic
• Solubility.: H2O: 1 M, clear, colorless
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.0763918
• Heavy Atom Count: 8
• Complexity: 50.9

Purity/Quality:

99% ^*data from raw suppliers

Choline Chloride ^*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

Useful:

• Canonical SMILES: C[N+](C)(C)CCO.[Cl-]
• Chemical Composition: Choline chloride is a quaternary ammonium salt composed of choline cation and chloride anion. It contains a choline moiety.
• Role as an Animal Growth Promotant: Choline chloride serves as an animal growth promotant, implying its significance in enhancing animal growth and performance.
• Use in Deep Eutectic Solvents (DESs): Choline chloride is a key component in the formation of deep eutectic solvents (DESs), which are solvents with properties similar to ionic liquids (ILs) but are easily prepared by mixing low-cost components.; DESs are formed through hydrogen bonding interactions between components, resulting in a mixture with a much lower melting point than individual components.; Choline chloride's affordability, biodegradability, and non-toxic nature make it a popular choice for DES synthesis.
• Applications of DESs: DESs serve as a greener alternative to ILs and find applications in various fields, including synthesis, metal-catalyzed organic reactions, electrochemistry, nanomaterials, biochemistry, separation, and analysis.
• Effect on Delignification: Chloride anion, an active component of choline chloride, contributes to the delignification process.; Choline chloride enhances the cleavage rate of 尾-O-4 bonds in lignin, thereby increasing the delignification rate of biomass, particularly in the case of Eucalyptus.; Studies suggest that choline chloride is effective in increasing the delignification rate when used in conjunction with lactic acid, with chloride anion being the active component.; Despite its effectiveness, choline chloride is not significantly superior to inexpensive salts like NaCl in this regard.
• Effect on Lignin Solubility and Mass Transfer: Choline chloride has been found to slightly decrease the solubility of lignin in DESs. Additionally, it increases viscosity, leading to a decrease in the estimated mass transfer coefficient.

Technology Process of CID 522265

There total 43 articles about CID 522265 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%

2-chloro-ethanol (107-07-3) + trimethylamine (75-50-3) → choline chloride (67-48-1)

Guidance literature:

In methanol; acetonitrile; at 70 ℃; for 14h; Inert atmosphere;

DOI:10.1002/cjoc.201190023 DOI:10.1016/j.cclet.2010.12.055

Reference yield: 88.0%

ethanol (64-17-5) + C25H25Cl2N2O3(1+)*Cl(1-) → ethyl 3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromene-2-carboxylate + choline chloride (67-48-1)

Guidance literature:

With diethylamine; at 40 ℃; for 9h;

DOI:10.1002/cjoc.201190023

Reference yield: 84.0%

ethanol (64-17-5) + C25H26BrN2O3(1+)*Cl(1-) → ethyl 3-amino-1-(4-bromo phenyl)-1H-benzo[f]chromene-2-carboxylate (330957-88-5) + choline chloride (67-48-1)

Guidance literature:

With diethylamine; at 40 ℃; for 9h;

DOI:10.1002/cjoc.201190023

upstream raw materials:

methyl bromide

2-(N,N-dimethylamino)ethanol

ethanol

acetylcholine chloride

Downstream raw materials:

{2-[3t-(1(3)H-imidazol-4-yl)-acryloyloxy]-ethyl}-trimethyl-ammonium; chloride

1,1-bis(4-chlorophenyl)-2,2-dichloroethylene

succinic acid diethyl ester

aniline

Refernces

• 1、 Jia, Hengmin,Kong, Hongtao,Ma, Xiuxia,Miao, Hui,Mu, Yan,Zhang, Guoqing,Zhang, Xiaolong,Zhang, Xuepeng. "Design and production of environmentally degradable quaternary ammonium salts". supporting information. p. 6548 - 6554. Retrieved 2021/09/10.
• 2、 Lei, Nana,Shen, Dazhong,Chen, Xiao. "Highly luminescent and multi-sensing aggregates co-assembled from Eu-containing polyoxometalate and an enzyme-responsive surfactant in water". . p. 399 - 407. Retrieved 2019/01/24.