1-IODOOCTANE-1,1-D2

Base Information

• Chemical Name: 1-IODOOCTANE-1,1-D2
• CAS No.: 89232-08-6
• Molecular Formula: C8H15 D2 I
• Molecular Weight: 242.112
• Mol file: 89232-08-6.mol

Synonyms:1-IODOOCTANE-1,1-D2

Chemical Property of 1-IODOOCTANE-1,1-D2

Chemical Property:

• PSA: 0.00000
• LogP: 3.78190

Purity/Quality:

98% atom D ^*data from raw suppliers

1-Iodooctane-1,1-d2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Iodooctane-1,1-d2 (CAS# 89232-08-6) is a useful isotopically labeled research compound.

Technology Process of 1-IODOOCTANE-1,1-D2

There total 5 articles about 1-IODOOCTANE-1,1-D2 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: 83.0%

1,1-Dideuterio-n-octyl methanesulfonate (86471-18-3) → 1-iodo-[1,1-D2]octane (89232-08-6)

Guidance literature:

With sodium iodide; In acetone; for 4h; Reflux;

DOI:10.1002/jlcr.1953

Reference yield:

<1-2H2>-1-octanol (78510-02-8) → 1-Iodooctane (629-27-6) + C8H16(2)HI + 1-iodo-[1,1-D2]octane (89232-08-6)

Guidance literature:

With triphenyl phosphite; methyl iodide; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) 120 deg C 2.) room temperature;

DOI:10.1021/jo00183a019

Reference yield:

octanoic acid ethyl ester (106-32-1) → 1-iodo-[1,1-D2]octane (89232-08-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / lithium aluminium deuteride / diethyl ether / 1.) room temperature, 30 min 2.) reflux, 2 h

2: 1.) triphenyl phosphite, iodomethane / 1.) 120 deg C 2.) room temperature

With triphenyl phosphite; lithium aluminium deuteride; methyl iodide; In diethyl ether;

DOI:10.1021/jo00183a019

upstream raw materials:

<1-²H2>-1-octanol

octanoic acid ethyl ester

Octanoic acid

1,1-Dideuterio-n-octyl methanesulfonate

Downstream raw materials:

1-Iodooctane

oct-1-ene

1,1-d₂-oct-1-ene

(Z)-1-deuterio-1-octene