Ethyl-2,2,2-d3 iodide

Base Information

• Chemical Name: Ethyl-2,2,2-d3 iodide
• CAS No.: 7439-87-4
• Molecular Formula: C2H2D3I
• Molecular Weight: 158.98
• European Community (EC) Number: 693-092-2
• DSSTox Substance ID: DTXSID40452044
• Nikkaji Number: J812.650J
• Wikidata: Q63408748
• Mol file: 7439-87-4.mol

Synonyms:7439-87-4;Ethyl-2,2,2-d3 iodide;Iodoethane-2,2,2-d3;1,1,1-trideuterio-2-iodoethane;Iodoethane-d3 (Copper Wire Stabilized);IODOETHANE (2,2,2-D3);Iodoethane D3;Ethane-1,1,1-d3,2-iodo- (8CI,9CI);SCHEMBL508125;2,2,2-trideuteroethyl iodide;DTXSID40452044;AKOS015912868;CS-O-10123;Ethane-1,1,1-d3,2-iodo-(8ci,9ci);D98931;Q63408748;Iodoethane-2,2,2-d3, >=98 atom % D, >=99% (CP), contains copper as stabilizer

Chemical Property of Ethyl-2,2,2-d3 iodide

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 128mmHg at 25°C
• Melting Point: -108 °C(lit.)
• Refractive Index: n20/D 1.509(lit.)
• Boiling Point: 72.8 °C at 760 mmHg
• Flash Point: 21.1 °C
• PSA: 0.00000
• Density: 1.977 g/cm³
• LogP: 1.44130
• Storage Temp.: 0-6°C
• Solubility.: Chloroform
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 158.96243
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

98% ^*data from raw suppliers

Iodoethane-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,Xn
• Statements: 23/24/25-42/43-63-53-36/37/38-20
• Safety Statements: 23-26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCI
• Isomeric SMILES: [2H]C([2H])([2H])CI
• Uses: Iodoethane-d3 is a compound used in variety of organic chemical reactions including the synthesis if disubstituted α-amino acids through alkylation reaction. Isotope labelled Iodoethane, a compound used in variety of organic chemical reactions including the synthesis if disubstituted α-amino acids through alkylation reaction.

Technology Process of Ethyl-2,2,2-d3 iodide

There total 2 articles about Ethyl-2,2,2-d3 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: 65.0%

2,2,2-trideuteroethanol (1759-87-1) → ethyl-2,2,2-d3 iodide (7439-87-4)

Guidance literature:

With phosphorus; iodine; Heating;

DOI:10.1039/P29950000119

Reference yield:

→ ethyl-2,2,2-d3 iodide (7439-87-4)

Guidance literature:

Ethyl-βd(3)-tosylat, KI;

DOI:10.1139/v72-155

Reference yield: 86.0%

ethyl-2,2,2-d3 iodide (7439-87-4) + 2-(2-bromophenyl)acetonitrile (19472-74-3) → 2-(2-bromophenyl)-2-(2,2,2-d3-ethyl)-4,4,4-d3-butyronitrile

Guidance literature:

2-(2-bromophenyl)acetonitrile; With lithium hexamethyldisilazane; In tetrahydrofuran; at 0 ℃; for 0.5h;

ethyl-2,2,2-d3 iodide; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/jo501610x

upstream raw materials:

2,2,2-trideuteroethanol

Downstream raw materials:

<3,3,3-2H3>propionic acid

C₁₂H₁₀⁽²⁾H₆O

Refernces

• 1、 Bowen, Richard D.,Suh, Dennis,Terlouw, Johan K.. "Mechanism of Propene and Water Elimination from the Oxonium Ion CH3CH=O+CH2CH2CH3". . p. 119 - 130. Retrieved 2007/10/02.
• 2、 Bowen, Richard D.,Derrick, Peter J.. "Unimolecular Reactions of Isolated Organic Ions: the Chemistry of the Oxonium Ions CH3CH2CH2CH2(+)O=CH2 and CH3CH2CH2CH=O(+)CH3". . p. 1197 - 1209. Retrieved 2007/10/02.