1,3,5-Trichloro-2-(prop-2-en-1-yloxy)benzene

Base Information

• Chemical Name: 1,3,5-Trichloro-2-(prop-2-en-1-yloxy)benzene
• CAS No.: 15890-54-7
• Molecular Formula: C9H7 Cl3 O
• Molecular Weight: 237.513
• NSC Number: 115072
• DSSTox Substance ID: DTXSID80297279
• Wikidata: Q82038301
• Mol file: 15890-54-7.mol

Synonyms:15890-54-7;1,3,5-trichloro-2-(prop-2-en-1-yloxy)benzene;NSC115072;SCHEMBL11541914;DTXSID80297279;allyl 2,4,6-trichlorophenyl ether;NSC-115072

Chemical Property of 1,3,5-Trichloro-2-(prop-2-en-1-yloxy)benzene

Chemical Property:

• Vapor Pressure: 0.00277mmHg at 25°C
• Boiling Point: 294.9°Cat760mmHg
• Flash Point: 112.9°C
• Density: 1.338g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 235.956248
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=C(C=C(C=C1Cl)Cl)Cl

Technology Process of 1,3,5-Trichloro-2-(prop-2-en-1-yloxy)benzene

There total 4 articles about 1,3,5-Trichloro-2-(prop-2-en-1-yloxy)benzene 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: 40.0%

3-Bromoprop-2-enyl 2,4,6-trichlorophenyl ether → allyl 2,4,6-trichlorophenyl ether (15890-54-7) + 3-Methyl-5,7-dichloro-2,3-dihydrobenzofuran + 2,4,6-Trichlorophenol (88-06-2,67471-29-8)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; for 3h; Ambient temperature;

DOI:10.1021/jo00128a013

Reference yield:

sodium 2,4,6-trichlorophenolate (3784-03-0) → allyl 2,4,6-trichlorophenyl ether (15890-54-7)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 3 h / 100 °C

2: 40 percent / SmI₂ / tetrahydrofuran; hexamethylphosphoric acid triamide / 3 h / Ambient temperature

With samarium diiodide; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide;

DOI:10.1021/jo00128a013

Reference yield:

sodium 2,4,6-trichlorophenolate (3784-03-0) + 3-chloroprop-1-ene (107-05-1) → allyl 2,4,6-trichlorophenyl ether (15890-54-7)

Guidance literature:

With ethanol;

DOI:10.1021/jo01166a015

upstream raw materials:

sodium 2,4,6-trichlorophenolate

3-chloroprop-1-ene

allyl bromide

2,4,6-Trichlorophenol

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