Iodoethane-d5

Base Information

• Chemical Name: Iodoethane-d5
• CAS No.: 6485-58-1
• Molecular Formula: C2D5I
• Molecular Weight: 160.927
• Hs Code.: 28459000
• European Community (EC) Number: 663-294-5
• DSSTox Substance ID: DTXSID90369259
• Nikkaji Number: J1.110.107K
• Wikidata: Q82156310
• Mol file: 6485-58-1.mol

Synonyms:Iodoethane-d5;6485-58-1;1,1,1,2,2-pentadeuterio-2-iodoethane;Ethyl-d5 iodide;IODOETHANE-D5-D;1-Iodoethane-1,1,2,2,2-d5;Iodoethane D5;Ethane-d5, iodo-;perdeuterioethyl iodide;Ethane-1,1,1,2,2-d5,2-iodo-;SCHEMBL508798;DTXSID90369259;MFCD00001092;AKOS015913208;CS-T-56727;HY-W131797;Iodoethane-d5 contains copper as stabilizer;CS-0197773;D98100;A935700;Iodoethane-d5, 99.5 atom % D, contains copper as stabilizer

Chemical Property of Iodoethane-d5

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 128mmHg at 25°C
• Melting Point: -108 °C(lit.)
• Refractive Index: n20/D 1.5091(lit.)
• Boiling Point: 69-73 °C(lit.)
• Flash Point: 53 °C
• PSA: 0.00000
• Density: 2.012 g/mL at 25 °C
• LogP: 1.44130
• Storage Temp.: Flammables area
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 160.97498
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

98%min ^*data from raw suppliers

Iodoethane-d5 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,Xn
• Statements: 23/24/25-42/43-63-36/37/38-22
• 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])C([2H])([2H])I
• Uses: (Iodoethane-d5) Labeled 1-Iodoethane, which is used in a variety of organic chemical reactions including the synthesis if disubstituted α-amino acids through alkylation reaction. Also used in electrochemical reduction reactions in the preparation of carbamates. Labeled 1-Iodoethane, which is used in a variety of organic chemical reactions including the synthesis if disubstituted α-amino acids through alkylation reaction. Also used in electrochemical reduction reactions in the preparation of carbamates.

Technology Process of Iodoethane-d5

There total 1 articles about Iodoethane-d5 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:

ethyl iodide (75-03-6) → butane-d10 (7582-04-9,352431-08-4) + 1,1,1,2,2-pentadeuterio-butane (69751-60-6) + iodoethane-d5 (6485-58-1) + n-butane (106-97-8,9003-29-6,9021-92-5)

Guidance literature:

With <(C2D5)Ni((1R,4R,8S,11S)-1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane)>⁺; lithium perchlorate; In sodium hydroxide; Product distribution; Mechanism; by mass spectral analysis;

DOI:10.1021/ja00264a024

Reference yield: 97.0%

(S)-benzyl 5-bromo-2,3-dihydro-1H-inden-2-ylcarbamate (889362-93-0) + iodoethane-d5 (6485-58-1) → (S)-benzyl 5-bromo-2,3-dihydro-1H-inden-2-yl([2H5]ethyl)carbamate (1403324-90-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h;

DOI:10.1002/jlcr.2951

Reference yield: 93.62%

iodoethane-d5 (6485-58-1) + para-bromobenzenethiol (106-53-6) → 1-bromo-4-(1,1,2,2,2-pentadeuteroethylthio)benzene

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 - 30 ℃; for 16h; Inert atmosphere;

upstream raw materials:

ethyl iodide

Downstream raw materials:

chloro-pentadeuterio-ethane

Ethyl α-(ethyl)acetoacetate

<3,3,4,4,4-2H5>-1-<4-(2-chloroethoxy)phenyl>-2-phenyl1-butanone

C₁₁H₁₄⁽²⁾H₅NO₅

Refernces