3-N-HEPTYLTHIOPHENE

Base Information

• Chemical Name: 3-N-HEPTYLTHIOPHENE
• CAS No.: 65016-61-7
• Molecular Formula: C11H18S
• Molecular Weight: 182.33
• Hs Code.: 29349990
• Mol file: 65016-61-7.mol

Synonyms:3-Heptylthiophene;3-n-Heptylthiophene;

Chemical Property of 3-N-HEPTYLTHIOPHENE

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.0459mmHg at 25°C
• Melting Point: -29.15°C (estimate)
• Refractive Index: 1.4925-1.4945
• Boiling Point: 245.1 °C at 760 mmHg
• Flash Point: 73.4 °C
• PSA: 28.24000
• Density: 0.938 g/cm³
• LogP: 4.26100
• Storage Temp.: 0-6°C

Purity/Quality:

97% ^*data from raw suppliers

3-Heptylthiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-N-HEPTYLTHIOPHENE

There total 5 articles about 3-N-HEPTYLTHIOPHENE 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: 69.0%

3-Bromothiophene (872-31-1) + 1-Iodoheptane (4282-40-0) → 3-n-heptylthiophene (65016-61-7)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; di-tert-butyl[dichloro({di-tert-butyl[4-(dimethylamino)phenyl]phosphaniumyl})palladio][4-(dimethylamino)phenyl]phosphanium; zinc; In water; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.11.160

Reference yield:

3-(trimethylsilyl)-4-(heptyn-1'-yl)thiophene (176168-22-2) → 3-n-heptylthiophene (65016-61-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / H₂ / 10percent Pd-C / hexane; triethylamine / 24 h

2: 1.) BCl₃, 2.) 0.5 M Na₂CO₃, 3.) Pd(PPh₃)4, 2 M Na₂CO₃ / 1.) CH₂Cl₂, -78 deg C, 2 h; -78 deg C to 0 deg C, 8 h, 3.) MeOH, toluene, 110 deg C, 2 h

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; boron trichloride; sodium carbonate; palladium on activated charcoal; In hexane; triethylamine;

DOI:10.1021/jo962191n

Reference yield:

3-Bromothiophene (872-31-1) + n-heptylmagnesium bromide (13125-66-1) → 3-n-heptylthiophene (65016-61-7)

Guidance literature:

1,3-bis[(diphenylphosphino)propane]dichloronickel(II);

DOI:10.1021/jo961065g

upstream raw materials:

3-Bromothiophene

n-heptylmagnesium bromide

3,4-dibromothiophene

3-(trimethylsilyl)-4-heptylthiophene

Downstream raw materials:

C₅₄H₆₆O₆S₄

C₂₇H₃₄O₃S₂

C₄₈H₅₈O₆S₄

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