1-(3-Chloropropyl)-4-methylpiperazine hydrochloride

Base Information

• Chemical Name: 1-(3-Chloropropyl)-4-methylpiperazine hydrochloride
• CAS No.: 2031-23-4
• Molecular Formula: C₈H₁₇ClN₂*2ClH
• Molecular Weight: 249.611
• Hs Code.: 2933599090
• Mol file: 2031-23-4.mol

Synonyms:1-(3-CHLOROPROPYL)-4-METHYLPIPERAZINE HYDROCHLORIDE;1217018-61-5;1-(3-Chloropropyl)-4-methylpiperazine diHCl;SCHEMBL374447;OOGLQRQSPQVQTE-UHFFFAOYSA-N;SB74514;A800910;1-(3-Chloro-propyl)-4-methyl-piperazine hydrochloride;1-(3-chloranylpropyl)-4-methyl-piperazine hydrochloride;1-(3-CHLOROPROPYL)-4-METHYLPIPERAZINEHYDROCHLORIDE

Chemical Property of 1-(3-Chloropropyl)-4-methylpiperazine hydrochloride

Chemical Property:

• Vapor Pressure: 0.033mmHg at 25°C
• Melting Point: 255-257 °C (decomp)(Solv: ethanol (64-17-5))
• Boiling Point: 242.9 °C at 760 mmHg
• Flash Point: 100.7 °C
• PSA: 6.48000
• LogP: 2.34250
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO, Methanol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.0847040
• Heavy Atom Count: 12
• Complexity: 100

Purity/Quality:

99.9% ^*data from raw suppliers

1-(3-Chloropropyl)-4-methylpiperazineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCCCl.Cl
• Uses: 1-(3-Chloropropyl)-4-methylpiperazine Dihydrochloride

Technology Process of 1-(3-Chloropropyl)-4-methylpiperazine hydrochloride

There total 5 articles about 1-(3-Chloropropyl)-4-methylpiperazine hydrochloride 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: 90.0%

3-(4-methyl-1-piperazinyl)-1-propanol (5317-33-9) → 3-(4-methyl-1-piperazinyl)propyl chloride dihydrochloride (2031-23-4,77270-74-7)

Guidance literature:

With thionyl chloride; In chloroform; at 100 ℃; for 6h;

DOI:10.1021/acscatal.1c01199

Reference yield: 44.1%

1-methyl-piperazine (109-01-3) + 1.3-chlorobromopropane (109-70-6) → 3-(4-methyl-1-piperazinyl)propyl chloride dihydrochloride (2031-23-4,77270-74-7)

Guidance literature:

With sodium hydroxide; In acetone; at 20 ℃; for 24h; Cooling with ice;

Reference yield:

1-methyl-piperazine (109-01-3) → 3-(4-methyl-1-piperazinyl)propyl chloride dihydrochloride (2031-23-4,77270-74-7)

Guidance literature:

Multi-step reaction with 2 steps

1: C₁₇H₁₆BrMnN₂O₃S; potassium carbonate / toluene / 12 h / 100 °C / Inert atmosphere

2: thionyl chloride / chloroform / 6 h / 100 °C

With thionyl chloride; C₁₇H₁₆BrMnN₂O₃S; potassium carbonate; In chloroform; toluene;

DOI:10.1021/acscatal.1c01199

upstream raw materials:

3-(4-methyl-piperazino)-propan-1-ol; dihydrochloride

1-methyl-piperazine

1.3-chlorobromopropane

3-(4-methyl-1-piperazinyl)-1-propanol

Downstream raw materials:

2-acetil-10-<3'-(4''-metilpiperazin-1''-il)>propilfenotiazina

3-methoxy-4-[3-(4-methyl-1-piperazinyl)propoxy]benzaldehyde

4-Anilino-5-bromo-2-{4-[3-(4-methylpiperazin-1-yl)propoxy]anilino}pyrimidine

1-{5-methoxy-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-2-nitro-phenyl}-ethanone

Refernces

• 1、 -. "4-substituted anilinoquinazoline derivatives, and preparation method and application thereof". Paragraph 0044; 0045. . Retrieved 2017/01/31.
• 2、 -. "Nitro, amino and aroylamino-N-phenylpyridinamines in a process for preparing pyrido[1,4]benzodiazepines". . . Retrieved 2008/06/13.