CID 6420899

Base Information

• Chemical Name: CID 6420899
• CAS No.: 1927-06-6
• Molecular Formula: C5H14 N O . Br
• Molecular Weight: 186.059
• Mol file: 1927-06-6.mol

Synonyms:

Chemical Property of CID 6420899

Chemical Property:

• Melting Point: 298 °C
• PSA: 20.23000
• LogP: -3.31110
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 183.02588
• Heavy Atom Count: 8
• Complexity: 50.9

Purity/Quality:

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

Choline Bromide >98.0%(T) ^*data from reagent suppliers

Safty Information:

• 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.[Br-]

Technology Process of CID 6420899

There total 8 articles about CID 6420899 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%

cholinium hydrogen carbonate (78-73-9) → choline bromide (1927-06-6)

Guidance literature:

With hydrogen bromide; In water; at 20 ℃; for 1h; Cooling with ice;

DOI:10.1039/d1gc00742d

Reference yield: 76.0%

methyl bromide (74-83-9) + 2-(N,N-dimethylamino)ethanol (108-01-0) → choline bromide (1927-06-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/la2045338

Reference yield: 30.0%

2-bromoethanol (540-51-2) + trimethylamine (75-50-3) → choline bromide (1927-06-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 24h;

upstream raw materials:

methyl bromide

2-(N,N-dimethylamino)ethanol

2-bromoethanol

trimethylamine

Downstream raw materials:

Br^(1-)*C₂₆H₃₈N₅O₃⁽¹⁺⁾

N,N,N-trimethyl-N-(2-hydroxyethyl)ammonium bis(trifluoromethanesulfonyl)imide

choline choline dihydrogen phosphate

Refernces

• 1、 Wemmer, D.,Petrouleas, V.,Panaglotopoulos, N.,Filippakis, S. E.,Lemmon, R. M.. "High-Resolution Solid-State Nuclear Magnetic Resonance and X-ray Structure Study of Choline Chloride, Bromide, and Iodide". . p. 999 - 1003. Retrieved 1983.
• 2、 Banno, Taisuke,Kuroha, Rie,Toyota, Taro. "PH-sensitive self-propelled motion of oil droplets in the presence of cationic surfactants containing hydrolyzable ester linkages". . p. 1190 - 1195. Retrieved 2012.