1-(5-Chloro-2-methylphenyl)piperazine

Base Information

• Chemical Name: 1-(5-Chloro-2-methylphenyl)piperazine
• CAS No.: 76835-20-6
• Molecular Formula: C11H15 Cl N2
• Molecular Weight: 210.706
• Hs Code.: 29339900
• European Community (EC) Number: 278-560-2
• UNII: ZTJ246H8JV
• DSSTox Substance ID: DTXSID80227652
• Nikkaji Number: J267.444K
• Wikidata: Q72454604
• Mol file: 76835-20-6.mol

Synonyms:1-(5-chloro-2-methylphenyl)piperazine;76835-20-6;Piperazine, 1-(5-chloro-2-methylphenyl)-;N-(5-Chloro-2-methylphenyl)piperazine;Piperazine,1-(5-chloro-2-methylphenyl)-;EINECS 278-560-2;ZTJ246H8JV;UNII-ZTJ246H8JV;4-(2-methyl-5-chlorophenyl)piperazine;1-(5-chloro-2-methylphenyl)-piperazine;1-(5-Chloro-o-tolyl)piperazine;MFCD00087128;Oprea1_678325;SCHEMBL255186;DTXSID80227652;BDA83520;BBL028182;STK400469;AKOS000268459;AB91069;FS-2650;1-(5-chloro-2-methyl-phenyl)-piperazine;BP-10326;FT-0629249;EN300-18966;W-109007;F2190-0528

Chemical Property of 1-(5-Chloro-2-methylphenyl)piperazine

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 4.7E-05mmHg at 25°C
• Refractive Index: 1.573-1.576
• Boiling Point: 349.4°C at 760 mmHg
• PKA: 8.85±0.10(Predicted)
• Flash Point: 165.1°C
• PSA: 15.27000
• Density: 1.1197 (rough estimate)
• LogP: 2.45180
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.0923762
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

98%min ^*data from raw suppliers

1-(5-Chloro-2-methylphenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)Cl)N2CCNCC2

Technology Process of 1-(5-Chloro-2-methylphenyl)piperazine

There total 2 articles about 1-(5-Chloro-2-methylphenyl)piperazine 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: 83.9%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 5-chloro-2-methyl-benzenamine (95-79-4) → 4-(2-methyl-5-chlorophenyl)piperazine (76835-20-6)

Guidance literature:

With potassium iodide; In chlorobenzene; for 24h; Reflux;

Reference yield: 47.0%

→ 4-(2-methyl-5-chlorophenyl)piperazine (76835-20-6)

Guidance literature:

Reference yield: 100.0%

2-(((3,5-dimethylisoxazol-4-yl)methyl)thio)acetic acid (446830-00-8) + 4-(2-methyl-5-chlorophenyl)piperazine (76835-20-6) → 1-(4-(5-chloro-2-methylphenyl)piperazin-1-yl)-2-(((3,5-dimethylisoxazol-4-yl)methyl)thio)ethan-1-one

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In dichloromethane; ethyl acetate; at 0 - 20 ℃; for 20h;

upstream raw materials:

bis-(2-chloroethyl)amine hydrochloride

5-chloro-2-methyl-benzenamine

Downstream raw materials:

1-(5-Chloro-2-methyl-phenyl)-4-(2-pyridin-2-yl-ethyl)-piperazine; compound with (E)-but-2-enedioic acid

2-[4-(5-Chloro-2-methyl-phenyl)-piperazin-1-yl]-benzaldehyde

2-[4-(5-Chloro-2-methyl-phenyl)-piperazin-1-yl]-N-(7-hydroxy-2,2,4,6-tetramethyl-indan-1-yl)-acetamide

5-{3-[4-(5-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propoxy}-3,4-dihydro-1H-quinolin-2-one

Refernces

• 1、 -. "CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR". Page 23. . Retrieved 2010/02/09.