1-(Chloroethynyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(Chloroethynyl)-4-methylbenzene
• CAS No.: 33491-04-2
• Molecular Formula: C9H7Cl
• Molecular Weight: 150.608
• DSSTox Substance ID: DTXSID901293962
• Nikkaji Number: J786.980K
• Mol file: 33491-04-2.mol

Synonyms:p-tolylchloracetylen;1-(chloroethynyl)-4-methylbenzene;1-(2-chloroethynyl)-4-methylbenzene;4-(Chloroethynyl)toluene;SCHEMBL10424748;DTXSID901293962;benzene, 1-(chloroethynyl)-4-methyl-;33491-04-2

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

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 150.0236279
• Heavy Atom Count: 10
• Complexity: 152

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C#CCl

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

There total 15 articles about 1-(Chloroethynyl)-4-methylbenzene 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: 94.0%

4-n-methylphenylacetylene (766-97-2) → 1-(chloroethynyl)-4-methylbenzene (33491-04-2)

Guidance literature:

With N-chloro-succinimide; potassium carbonate; silver carbonate; In propan-1-ol; at 50 ℃; for 4h; Sealed tube; Inert atmosphere; Green chemistry;

DOI:10.1002/cctc.201500243

Reference yield: 88.0%

→ 1-(chloroethynyl)-4-methylbenzene (33491-04-2)

Guidance literature:

With N-chloro-succinimide; potassium acetate; In acetonitrile; at 25 ℃; for 6h;

Reference yield: 78.0%

1-(2-(trimethylsilyl)ethynyl)toluene (4186-14-5) → 1-(chloroethynyl)-4-methylbenzene (33491-04-2)

Guidance literature:

With N-chloro-succinimide; tetrabutyl ammonium fluoride; silver nitrate; In tetrahydrofuran; acetonitrile; at 20 ℃; for 1.5h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201303680

upstream raw materials:

4-n-methylphenylacetylene

2-Chloro-1-p-tolyl-2-(triphenyl-λ⁵-phosphanylidene)-ethanone

acetic acid

diethyl (dichloromethyl)phosphonate

Downstream raw materials:

1-ethenyl-4-methylbenzene

1-((Z)-2-chloro-1-iodovinyl)-4-methylbenzene

2,2-dimethyl-4-(p-tolyl)but-3-ynenitrile

(Z)-1-(1-bromo-2-chloropenta-1,4-dien-1-yl)-4-methylbenzene