N-PENTYL ALCOHOL-D12

Base Information

• Chemical Name: N-PENTYL ALCOHOL-D12
• CAS No.: 158778-85-9
• Molecular Formula: C₅H₁₂O
• Molecular Weight: 100.054
• Mol file: 158778-85-9.mol

Synonyms:1-Pentanol-d12

Chemical Property of N-PENTYL ALCOHOL-D12

Chemical Property:

• PSA: 20.23000
• LogP: 1.16890

Purity/Quality:

98% ^*data from raw suppliers

n-Pentanol-d12 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: n-Pentyl Alcohol-d12 (CAS# 158778-85-9) is a useful isotopically labeled research compound.

Technology Process of N-PENTYL ALCOHOL-D12

There total 2 articles about N-PENTYL ALCOHOL-D12 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: 86.5%

pentanoic acid-d10 (158778-84-8) → 1-pentanol-d12 (158778-85-9,64118-19-0)

Guidance literature:

With lithium aluminium deuteride; In diethyl ether; for 8h; Heating;

Reference yield:

diethyl propyl-d7-malonate (158778-81-5) → 1-pentanol-d12 (158778-85-9,64118-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) D₂O, NaOD, 2.) D₂SO₄ / 1.) reflux, 6 h, 2.) reflux, 4.5 h

2: 86.5 percent / LiAlD₄ / diethyl ether / 8 h / Heating

With lithium aluminium deuteride; deuteriated sodium hydroxide; water-d2; sulfuric acid-d2; In diethyl ether;

Reference yield: 83.7%

1-pentanol-d12 (158778-85-9,64118-19-0) → <(2)H11>Pentyl bromide (126840-21-9,1219803-61-8,148404-92-6)

Guidance literature:

With phosphorus; bromine; at 85 - 90 ℃;

upstream raw materials:

pentanoic acid-d10

diethyl propyl-d7-malonate

Downstream raw materials:

<(2)H11>Pentyl bromide

n-heptyl-d₁₅-bromide

heptanol-d16

C₇⁽²⁾H₁₄O₂

Refernces