1-(1-Chloroethyl)-2,3-dimethylbenzene

Base Information

• Chemical Name: 1-(1-Chloroethyl)-2,3-dimethylbenzene
• CAS No.: 60907-88-2
• Molecular Formula: C₁₀H₁₃Cl
• Molecular Weight: 168.666
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID90598582
• Mol file: 60907-88-2.mol

Synonyms:1-(1-Chloroethyl)-2,3-dimethylbenzene;60907-88-2;1-(2,3-Dimethylphenyl)ethyl chloride;Benzene,1-(1-chloroethyl)-2,3-dimethyl-;1-(1-Chloroethyl)-2,3-dimethylphenyl;SCHEMBL8750372;DTXSID90598582;BCP13455;MFCD09953793;AKOS016009420;AC-5605;AS-15851;F20617;A924061

Chemical Property of 1-(1-Chloroethyl)-2,3-dimethylbenzene

Chemical Property:

• Vapor Pressure: 0.0887mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 232.7 °C at 760 mmHg
• Flash Point: 92.6 °C
• PSA: 0.00000
• Density: 1.01 g/cm³
• LogP: 3.60320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 168.0705781
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

1-(2,3-Dimethylphenyl)ethylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(C)Cl)C

Technology Process of 1-(1-Chloroethyl)-2,3-dimethylbenzene

There total 1 articles about 1-(1-Chloroethyl)-2,3-dimethylbenzene 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:

→ 1-(1-chloroethyl)-2,3-dimethylbenzene (60907-88-2)

Guidance literature:

Reference yield: 77.5%

1-(1-chloroethyl)-2,3-dimethylbenzene (60907-88-2) + tert-butyl 1H-imidazole-1-carboxylate (49761-82-2) → (±)-4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride (86347-15-1)

Guidance literature:

tert-butyl 1H-imidazole-1-carboxylate; With titanium tetrachloride; In dichloromethane; at -3 - 5 ℃; for 0.5h;

1-(1-chloroethyl)-2,3-dimethylbenzene; In dichloromethane; at 5 - 22 ℃; for 3h; Temperature; Reagent/catalyst;

Reference yield: 60.0%

1-(1-chloroethyl)-2,3-dimethylbenzene (60907-88-2) + 1-(Trimethylsilyl)imidazole (18156-74-6) → (+/-)-4(5)-<1-(2,3-Dimethylphenyl)ethyl-1H-imidazole> (86347-14-0,119717-21-4)

Guidance literature:

1-(1-chloroethyl)-2,3-dimethylbenzene; 1-(Trimethylsilyl)imidazole; With titanium tetrachloride; In dichloromethane; for 6h; Reflux;

With water; sodium hydroxide; In dichloromethane; for 0.5h; Cooling with ice;

Downstream raw materials:

(+/-)-4(5)-<1-(2,3-Dimethylphenyl)ethyl-1H-imidazole>

(±)-4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride

Refernces