Choline iodide

Base Information

• Chemical Name: Choline iodide
• CAS No.: 17773-10-3
• Molecular Formula: C5H14 N O . I
• Molecular Weight: 231.077
• European Community (EC) Number: 241-754-2
• UNII: 39528O55VK
• DSSTox Substance ID: DTXSID30938983
• Wikidata: Q27256864
• ChEMBL ID: CHEMBL293410
• Mol file: 17773-10-3.mol

Synonyms:Choline iodide;17773-10-3;2-Hydroxy-N,N,N-trimethylethanaminium iodide;Jodoetano;Dilatol zambon;2-Hydroxy-N,N,N-trimethylethan-1-aminium iodide;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, iodide;EINECS 241-754-2;2-hydroxyethyl(trimethyl)azanium;iodide;AI3-61505;CHEMBL293410;Choline, iodide;UNII-39528O55VK;39528O55VK;(2-Hydroxyethyl)trimethylammonium Iodide;D0Q2DE;C5H14INO;C5H14NO.I;SCHEMBL315876;DTXSID30938983;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, iodide (1:1);C5-H14-N-O.I;MFCD00011900;(2-hydroxyethyl)trimethylazanium iodide;HY-W039760;AS-69536;LS-53247;C2573;CS-0097842;FT-0623771;D70215;Q27256864

Chemical Property of Choline iodide

Chemical Property:

• Appearance/Colour: white powder.
• Melting Point: 263.00 - 264.00ºC
• PSA: 20.23000
• LogP: -3.31110
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Light Sensitive & Hygroscopic
• Solubility.: DMSO (Soluble), Water (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.01201
• Heavy Atom Count: 8
• Complexity: 46.5

Purity/Quality:

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

2-Hydroxy-N,N,N-trimethylethanaminium Iodide ^*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.[I-]
• Uses: CHOLINE IODIDE is used in the synthesis of a 5’cholinephosphate anti-HIV agent. 2-Hydroxy-N,N,N-trimethylethanaminium Iodide is used in the synthesis of a 5’-cholinephosphate anti-HIV agent.

Technology Process of Choline iodide

There total 12 articles about Choline iodide 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: 100.0%

trimethyl-{2-[methyl-(2-nitro-phenyl)-carbamoyloxy]-ethyl}-ammonium; iodide → choline iodide (17773-10-3) + N-methyl-2-nitrosoaniline

Guidance literature:

In water; for 1h; Further Variations:; Solvents; irradiation frequency; Product distribution; Photolysis;

DOI:10.1016/S0040-4039(01)01700-2

Reference yield: 93.0%

2-(N,N-dimethylamino)ethanol (108-01-0) + methyl iodide (74-88-4) → choline iodide (17773-10-3)

Guidance literature:

In acetonitrile; at 0 - 60 ℃; for 12h;

DOI:10.1039/c6ra01364c

Reference yield:

methanol (67-56-1) + p-Nitrophenylcholine carbonate iodide → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + choline iodide (17773-10-3)

Guidance literature:

With calix[6]arene connected to bicyclic (S,S)-guanidinium moiety; perchlorate salt buffer; N-ethyl-N,N-diisopropylamine; In chloroform; at 25 ℃; Further Variations:; Reagents; Kinetics;

DOI:10.1002/1521-3765(20000901)6:17<3228::AID-CHEM3228>3.0.CO;2-P

upstream raw materials:

methyl bromide

2-(N,N-dimethylamino)ethanol

acetylcholine iodide

methyl iodide

Downstream raw materials:

(2-chloro-ethyl)-trimethyl-ammonium; iodide

acetylcholine iodide

(2-hydroxyethyl)trimethylammonium phenoxyacetate

(2-hydroxyethyl)trimethylammonium 2-hydroxyphenoxyacetate

Refernces

• 1、 Jin, Di-Qiong,Zhu, Ying,Fang, Qun. "Swan probe: A nanoliter-scale and high-throughput sampling interface for coupling electrospray ionization mass spectrometry with microfluidic droplet array and multiwell plate". . p. 10796 - 10803. Retrieved 2014.
• 2、 Fareghi-Alamdari, Reza,Ghorbani-Zamani, Faezeh,Zekri, Negar. "Synthesis and hypergolic activity evaluation of some new ammonium-imidazolium based ionic liquids". . p. 26386 - 26391. Retrieved 2016/03/25.