1-(Chloroethynyl)-4-methoxybenzene

Base Information

• Chemical Name: 1-(Chloroethynyl)-4-methoxybenzene
• CAS No.: 33491-06-4
• Molecular Formula: C₉H₇ClO
• Molecular Weight: 166.607
• DSSTox Substance ID: DTXSID301290289
• Nikkaji Number: J786.981I
• Mol file: 33491-06-4.mol

Synonyms:33491-06-4;Benzene, 1-(2-chloroethynyl)-4-methoxy-;1-(chloroethynyl)-4-methoxybenzene;1-(2-chloroethynyl)-4-methoxybenzene;4-(Chloroethynyl)anisole;4-(2-Chloroethynyl)anisole;DTXSID301290289;benzene, 1-(chloroethynyl)-4-methoxy-

Chemical Property of 1-(Chloroethynyl)-4-methoxybenzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 166.0185425
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C#CCl

Technology Process of 1-(Chloroethynyl)-4-methoxybenzene

There total 13 articles about 1-(Chloroethynyl)-4-methoxybenzene 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: 99.0%

→ 4-(2-chloroethynyl)anisole (33491-06-4)

Guidance literature:

With CuCl₂*1.66NaCl*2.5Al₂O₃; In dichloromethane; at 35 ℃; for 12h;

Reference yield: 92.0%

4-methoxyphenylacetylen (768-60-5) → 4-(2-chloroethynyl)anisole (33491-06-4)

Guidance literature:

With N-chloro-succinimide; potassium carbonate; silver carbonate; In propan-1-ol; at 50 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201809333

Reference yield: 92.0%

(4-methoxyphenylethynyl)trimethylsilane (3989-14-8) → 4-(2-chloroethynyl)anisole (33491-06-4)

Guidance literature:

With N-chloro-succinimide; tetrabutyl ammonium fluoride; silver nitrate; In tetrahydrofuran; acetonitrile; at 20 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201303680

upstream raw materials:

4-(1,2-dichloro-vinyl)-anisole

1-(2,2-dichlorovinyl)-4-methoxybenzene

4-methoxyphenylacetylen

acetic acid

Downstream raw materials:

1-methoxy-4-(3-phenyl-1-propen-1-yl)benzene

4-(3-phenylallyl)anisole

(R)-1-chloro-2-hydroxy-2-(p-methoxyphenyl)ethane

(S)-1-chloro-2-hydroxy-2-(p-methoxyphenyl)ethane