1-BROMOPENTANE-D11

Base Information

• Chemical Name: 1-BROMOPENTANE-D11
• CAS No.: 126840-21-9
• Molecular Formula: C5Br D11
• Molecular Weight: 161.959
• Mol file: 126840-21-9.mol

Synonyms:Pentyl-d11bromide

Chemical Property of 1-BROMOPENTANE-D11

Chemical Property:

• Melting Point: -95 °C(lit.)
• Boiling Point: 130 °C(lit.)
• Flash Point: 32 °C
• PSA: 0.00000
• Density: 1.306 g/mL at 25 °C
• LogP: 2.57150

Purity/Quality:

99.0%min ^*data from raw suppliers

1-Bromopentane-d11 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (1-Bromopentane-d11) Isotope labelled 1-Bromopentane is a chemical reagent used in a multitude of organic syntheses. It is used iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling. It is used in the synthesis of α,γ-diketo acids as reversible inhibitors of Hepatitis C virus NS5b RNA polymerase.

Technology Process of 1-BROMOPENTANE-D11

There total 6 articles about 1-BROMOPENTANE-D11 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: 83.7%

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 ℃;

Reference yield:

<2H9>valeric acid (115871-50-6) → <(2)H11>Pentyl bromide (126840-21-9,1219803-61-8,148404-92-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 12.3 g / LiAlD₄ / tetrahydrofuran / 2 h / Heating

2: 10.0 g / phosphorus tribromide / 2 h / Heating

With lithium aluminium deuteride; phosphorus tribromide; In tetrahydrofuran;

DOI:10.1021/jp040135h

Reference yield:

valeric acid (109-52-4) → <(2)H11>Pentyl bromide (126840-21-9,1219803-61-8,148404-92-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NaOH / methanol / pH 8.0

1.2: 15.7 g / NaOH; D₂O / Pt/C / 110 h / 220 °C

2.1: 12.3 g / LiAlD₄ / tetrahydrofuran / 2 h / Heating

3.1: 10.0 g / phosphorus tribromide / 2 h / Heating

With sodium hydroxide; lithium aluminium deuteride; phosphorus tribromide; In tetrahydrofuran; methanol;

DOI:10.1021/jp040135h

upstream raw materials:

1-pentanol-d12

1-pentanol-d11

<2H9>valeric acid

valeric acid

Downstream raw materials:

n-Pentyl-d11-benzene

C₇⁽²⁾H₁₄O₂

heptanol-d16

n-heptyl-d₁₅-bromide

Refernces

• 1、 Lipinski, K.,Lipinska, T.,Suszko-Purzycka, A.,Rykowski, A.. "Facile Preparation of Perdeuteriated Intermediates for the Synthesis of Chain Labelled Thermotropic Liquid Crystals". . p. 667 - 672. Retrieved 2007/10/02.