Octanoic-2,2-d2 acid

Base Information

• Chemical Name: Octanoic-2,2-d2 acid
• CAS No.: 64118-36-1
• Molecular Formula: C8H14 D2 O2
• Molecular Weight: 146.22

Synonyms:a-Dideuterooctanoic acid

Chemical Property of Octanoic-2,2-d2 acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.43150

Purity/Quality:

98% ^*data from raw suppliers

OctanoicAcid-2,2-d2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Octanoic-2,2-d2 Acid (CAS# 64118-36-1) is a useful isotopically labeled research compound.

Technology Process of Octanoic-2,2-d2 acid

There total 3 articles about Octanoic-2,2-d2 acid 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: 56.0%

1-bromo-hexane (111-25-1) + tetradeuterioacetic acid (1186-52-3) → [2,2-2H2]octanoic acid (64118-36-1)

Guidance literature:

tetradeuterioacetic acid; With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -40 - 0 ℃;

1-bromo-hexane; With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; hexane; at 0 - 25 ℃;

DOI:10.1021/ja049184y

Reference yield: 50.0%

Octanoic acid (124-07-2) → [2,2-2H2]octanoic acid (64118-36-1)

Guidance literature:

With water-d2; sulfuric acid-d2; at 90 - 96 ℃;

DOI:10.1063/1.477008

Reference yield:

diethyl 2-hexylmalonate (5398-10-7) → [2,2-2H2]octanoic acid (64118-36-1)

Guidance literature:

With ethanol; water-d2; sodium; phosphorus trichloride; Yield given. Multistep reaction;

upstream raw materials:

diethyl 2-hexylmalonate

Octanoic acid

1-bromo-hexane

tetradeuterioacetic acid

Downstream raw materials:

C₁₅H₂₂⁽²⁾H₂O₃S

4,4'-bis-(<2,2-(2)H2>octyloxy)azoxybenzene

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