Isohexyltriphenylphosphonium Bromide

Base Information

• Chemical Name: Isohexyltriphenylphosphonium Bromide
• CAS No.: 70240-41-4
• Molecular Formula: C24H28P.Br
• Molecular Weight: 427.364
• DSSTox Substance ID: DTXSID80448628
• Mol file: 70240-41-4.mol

Synonyms:Isohexyltriphenylphosphonium Bromide;70240-41-4;4-methylpentyl(triphenyl)phosphanium;bromide;Phosphonium, (4-methylpentyl)triphenyl-, bromide;SCHEMBL286655;DTXSID80448628;WZVQDUYONNRCAP-UHFFFAOYSA-M;isohexyl(triphenyl)phosphonium;AKOS040767613;FT-0670467;(4-Methyl-pentyl)-triphenyl-phosphonium bromide

Chemical Property of Isohexyltriphenylphosphonium Bromide

Chemical Property:

• PSA: 13.59000
• LogP: 2.42070
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 426.11120
• Heavy Atom Count: 26
• Complexity: 311

Purity/Quality:

95% ^*data from raw suppliers

IsohexyltriphenylphosphoniumBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Technology Process of Isohexyltriphenylphosphonium Bromide

There total 3 articles about Isohexyltriphenylphosphonium Bromide 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: 80.0%

1-bromo-5-methylpentane (626-88-0) + triphenylphosphine (603-35-0) → 4-methyl-1-pentyltriphenylphopshonium bromide (70240-41-4)

Guidance literature:

In acetonitrile; for 48h; Heating;

Reference yield:

4-Methyl-1-pentanol (626-89-1) → 4-methyl-1-pentyltriphenylphopshonium bromide (70240-41-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / 47percent aq. HBr, conc. H₂SO₄ / 30 h / Heating

2: 80 percent / acetonitrile / 48 h / Heating

With sulfuric acid; hydrogen bromide; In acetonitrile;

Reference yield:

→ 4-methyl-1-pentyltriphenylphopshonium bromide (70240-41-4)

Guidance literature:

upstream raw materials:

1-bromo-5-methylpentane

triphenylphosphine

4-Methyl-1-pentanol

Downstream raw materials:

(8-Methyl-nonyl)-triphenyl-phosphonium; bromide

(7R,8R)-8-benzyloxy-7-p-toluenesulfonyloxy-2-methyl-9-octadecane

(7R,8R)-(+)-7-acetoxy-8-p-toluenesulfonyloxy-2-methyloctadecane

Toluene-4-sulfonic acid (3aR,5R,6S,6aR)-2,2-dimethyl-5-(5-methyl-hexyl)-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester

Refernces

• 1、 Genard, S.,Patin, H.. "Studies related to fatty acid desaturation. Part I: Preparation of methyl-substituted nonanols, nonyl bromides and total synthesis of new branched oleic acids". . p. 397 - 406. Retrieved 2007/10/02.