3-(5-Chloro-2-methoxyphenyl)-1-propene

Base Information

• Chemical Name: 3-(5-Chloro-2-methoxyphenyl)-1-propene
• CAS No.: 105591-47-7
• Molecular Formula: C10H11ClO
• Molecular Weight: 182.64700
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID90546609
• Nikkaji Number: J2.411.719G
• Wikidata: Q82424490
• Mol file: 105591-47-7.mol

Synonyms:3-(5-CHLORO-2-METHOXYPHENYL)-1-PROPENE;105591-47-7;4-chloro-1-methoxy-2-prop-2-enylbenzene;3-(3-Chloro-6-methoxyphenyl)-1-propene;MFCD09801326;DTXSID90546609;2-Allyl-4-chloro-1-methoxybenzene;AKOS006327571;4-Chloro-1-methoxy-2-(prop-2-en-1-yl)benzene

Chemical Property of 3-(5-Chloro-2-methoxyphenyl)-1-propene

Chemical Property:

• Vapor Pressure: 0.0868mmHg at 25°C
• Boiling Point: 233.1oC at 760 mmHg
• Flash Point: 99.6oC
• PSA: 9.23000
• Density: 1.075g/cm3
• LogP: 3.07710
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

3-(5-Chloro-2-methoxyphenyl)-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Cl)CC=C

Technology Process of 3-(5-Chloro-2-methoxyphenyl)-1-propene

There total 5 articles about 3-(5-Chloro-2-methoxyphenyl)-1-propene 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: 78.0%

2-bromo-4-chloroanisole (60633-25-2) + 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (72824-04-5) → 2-allyl-4-chloro-1-methoxybenzene (105591-47-7)

Guidance literature:

2-bromo-4-chloroanisole; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; cesium fluoride; In tetrahydrofuran; at 20 ℃; for 0.5h; Schlenk technique; Inert atmosphere;

2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; In tetrahydrofuran; at 78 ℃; for 25h; Schlenk technique; Inert atmosphere;

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; cesium fluoride; In tetrahydrofuran; at 78 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201403773

Reference yield:

2-bromo-4-chloroanisole (60633-25-2) + allyl bromide (106-95-6) → 2-allyl-4-chloro-1-methoxybenzene (105591-47-7)

Guidance literature:

2-bromo-4-chloroanisole; With iodine; magnesium; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere; Reflux;

allyl bromide; In tetrahydrofuran; Inert atmosphere;

DOI:10.1021/jacs.8b13316

Reference yield:

2-bromo-4-chlorophenol (695-96-5) → 2-allyl-4-chloro-1-methoxybenzene (105591-47-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran / 0.67 h / 20 °C

1.2: 24.17 h / 76 °C / Inert atmosphere

2.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; cesium fluoride / tetrahydrofuran / 0.5 h / 20 °C / Schlenk technique; Inert atmosphere

2.2: 25 h / 78 °C / Schlenk technique; Inert atmosphere

2.3: 24 h / 78 °C / Schlenk technique; Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydride; cesium fluoride; In tetrahydrofuran;

DOI:10.1002/anie.201403773

upstream raw materials:

dimethyl sulfate

2-allyl-4-chlorophenol

methyl iodide

2-bromo-4-chloroanisole

Downstream raw materials:

1-(2'-Bromopropyl)-5-chloro-2-methoxybenzene

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