1-N-HEPTYL-4-IODOBENZENE

Base Information

• Chemical Name: 1-N-HEPTYL-4-IODOBENZENE
• CAS No.: 131894-91-2
• Molecular Formula: C13H19 I
• Molecular Weight: 302.198
• Hs Code.: 2903999090
• Mol file: 131894-91-2.mol

Synonyms:1-Heptyl-4-iodobenzene

Chemical Property of 1-N-HEPTYL-4-IODOBENZENE

Chemical Property:

• Vapor Pressure: 0.00184mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 165°C/10mm
• Flash Point: 165°C/10mm
• PSA: 0.00000
• Density: 1.332g/cm³
• LogP: 4.80410
• Sensitive.: Light Sensitive

Purity/Quality:

98%min ^*data from raw suppliers

1-Heptyl-4-iodobenzene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-N-HEPTYL-4-IODOBENZENE

There total 6 articles about 1-N-HEPTYL-4-IODOBENZENE 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: 70.0%

4-heptylbenzoyl chloride (50606-96-7) → 1-(n-heptyl)-4-iodobenzene (131894-91-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 125 ℃; for 12h;

DOI:10.1038/s41557-018-0078-8

Reference yield:

4-heptylaniline (37529-27-4) → 1-(n-heptyl)-4-iodobenzene (131894-91-2)

Guidance literature:

With hydrogenchloride; Diazotization_.Behandlung der Diazoniumsalz-Loesung mit KI;

Reference yield:

heptyl boronic acid (28741-07-3) → 1-(n-heptyl)-4-iodobenzene (131894-91-2)

Guidance literature:

Multi-step reaction with 3 steps

1: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate monohydrate; palladium diacetate / toluene

2: palladium on activated charcoal; hydrogen / ethanol

3: hydrogenchloride; sodium nitrite / water / Cooling with ice

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; hydrogenchloride; potassium phosphate monohydrate; palladium on activated charcoal; hydrogen; palladium diacetate; sodium nitrite; In ethanol; water; toluene; 1: Suzuki coupling;

DOI:10.1016/j.bmcl.2011.12.043

upstream raw materials:

4-heptylaniline

n-heptan1ol

aniline

heptyl boronic acid

Downstream raw materials:

2-(4-heptylphenyl)-1,3-propanediol

4-(n-heptyl)phenylboronic acid

4-heptylphenylboronic acid pinacol ester

C₁₈H₂₈Si

Refernces

• 1、 Lee, Yong Ho,Morandi, Bill. "Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides". . p. 1016 - 1022. Retrieved 2018/09/06.