Einecs 278-659-0

Base Information

• Chemical Name: Einecs 278-659-0
• CAS No.: 77294-15-6
• Molecular Formula: C11H12 Cl F
• Molecular Weight: 198.668
• Hs Code.: 2903999090
• European Community (EC) Number: 278-659-0
• Mol file: 77294-15-6.mol

Synonyms:77294-15-6;EINECS 278-659-0;1-(5-CHLOROPENT-2-EN-2-YL)-4-FLUOROBENZENE;1-(4-Chloro-1-methyl-1-butenyl)-4-fluorobenzene;C11H12ClF;C11-H12-Cl-F;SCHEMBL5636230;SCHEMBL5636236;MCEBPHCKNDQIFJ-YCRREMRBSA-N;1-[(1E)-4-chloro-1-methyl-1-butenyl]-4-fluorobenzene

Chemical Property of Einecs 278-659-0

Chemical Property:

• Vapor Pressure: 0.0113mmHg at 25°C
• Boiling Point: 270.5°C at 760 mmHg
• Flash Point: 133°C
• PSA: 0.00000
• Density: 1.089g/cm³
• LogP: 3.85790
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 198.0611562
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCCl)C1=CC=C(C=C1)F
• Isomeric SMILES: C/C(=C\CCCl)/C1=CC=C(C=C1)F

Technology Process of Einecs 278-659-0

There total 2 articles about Einecs 278-659-0 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: 83.0%

δ-Hydroxy-δ-methyl-δ-p-fluorophenylbutyl chloride (77294-13-4) → 1-p-Fluorophenyl-1-methyl-4-chloro-1-butene (77294-15-6)

Guidance literature:

With sulfuric acid; at 100 ℃; for 2h;

Reference yield:

4-(4-fluorophenyl)-4-oxo-n-butyl chloride (3874-54-2,41167-07-1) → 1-p-Fluorophenyl-1-methyl-4-chloro-1-butene (77294-15-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / diethyl ether / 8 h / Heating

2: 83 percent / aq. 60percent H₂SO₄ / 2 h / 100 °C

With sulfuric acid; In diethyl ether;

Reference yield: 87.5%

1-p-Fluorophenyl-1-methyl-4-chloro-1-butene (77294-15-6) + 1,2,3,4,6,7,12,12a-octahydropyrazino<2',1':6,1>pyrido<3,4-b>indole (55344-28-0) → 2-[(E)-4-(4-Fluoro-phenyl)-pent-3-enyl]-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole (77294-01-0)

Guidance literature:

With sodium carbonate; sodium iodide; In N,N-dimethyl-formamide;

upstream raw materials:

δ-Hydroxy-δ-methyl-δ-p-fluorophenylbutyl chloride

4-(4-fluorophenyl)-4-oxo-n-butyl chloride

Downstream raw materials:

2-[(E)-4-(4-Fluoro-phenyl)-pent-3-enyl]-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole

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