1-(3-Hydroxypropyl)-4-methylpiperazine

Base Information

• Chemical Name: 1-(3-Hydroxypropyl)-4-methylpiperazine
• CAS No.: 5317-33-9
• Molecular Formula: C8H18N2O
• Molecular Weight: 158.244
• Hs Code.: 2933599090
• European Community (EC) Number: 226-177-6
• NSC Number: 351986
• UNII: XB7DBM2RWE
• DSSTox Substance ID: DTXSID80201235
• Nikkaji Number: J236.156F
• Wikidata: Q83074416
• Mol file: 5317-33-9.mol

Synonyms:5317-33-9;1-(3-Hydroxypropyl)-4-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-ol;4-Methyl-1-piperazinepropanol;1-Piperazinepropanol, 4-methyl-;3-(4-Methyl-1-piperazine)propan-1-ol;MFCD00009781;3-(n-methylpiperazine)-propanol;EINECS 226-177-6;NSC-351986;n-methyl-n'-(3 hydroxylpropyl) piperazine;NSC-79874;1-(3-Hydroxypropyl)-4-methyl-piperazine;XB7DBM2RWE;SCHEMBL8866;C(CCO)N1CCN(C)CC1;hexyl2-methylpent-3-en-1-oate;DTXSID80201235;4-Methyl-1-piperazine-1-propanol;3-(4-methylpiperazino)-1-propanol;3-(4-methylpiperazin-1-yl)propanol;3-(n-methylpiperazine)-propan-1-ol;NSC351986;1-(3-hydroxypropyl)4-methylpiperazine;3-(4-methyl-piperazin-1-yl)propanol;AKOS004119313;4-Methyl-1-(hydroxypropyl)-piperazine;AB00992;AS-7025;CS-W019559;NSC 351986;PS-3230;1-Methyl-4-(3-hydroxypropyl)piperazine;4-(3-hydroxypropyl)-1-methylpiperazine;1-Methyl-4-(3-hydroxypropyl)-piperazin;3-(4-Methyl-1-piperazinyl)-1-propanol;N-methyl-N'-(3-hydroxypropyl)piperazine;AC-23463;BP-11005;SY013058;3-(4-methylpiperazin-1-yl)-propan-1-ol;3-(4-Methyl-1-piperazinyl)-1-propanol #;3-(4-methyl-piperazin-1-yl)-propan-1-ol;1-(3-Hydroxyprop-1-yl)-4-methylpiperazine;A7740;FT-0635613;EN300-1247845;3-(4-Methylpiperazin-1-yl)propan-1-ol, AldrichCPR

Chemical Property of 1-(3-Hydroxypropyl)-4-methylpiperazine

Chemical Property:

• Vapor Pressure: 0.00294mmHg at 25°C
• Melting Point: 30 °C
• Boiling Point: 252.8 °C at 760 mmHg
• PKA: 15.10±0.10(Predicted)
• Flash Point: 111.6 °C
• PSA: 26.71000
• Density: 0.988 g/cm³
• LogP: -0.50800
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 158.141913202
• Heavy Atom Count: 11
• Complexity: 100

Purity/Quality:

99% ^*data from raw suppliers

4-Methyl-1-piperazinepropanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCCO
• Uses: 4-Methyl-1-piperazinepropanol is a useful synthetic organic compound used in the synthesis of S-Alkyl-N-alkylisothiourea compounds.

Technology Process of 1-(3-Hydroxypropyl)-4-methylpiperazine

There total 10 articles about 1-(3-Hydroxypropyl)-4-methylpiperazine 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: 86.0%

1-methyl-piperazine (109-01-3) + 1-bromo-3-propanol (627-18-9) → 3-(4-methyl-1-piperazinyl)-1-propanol (5317-33-9)

Guidance literature:

In toluene; at 80 ℃;

Reference yield: 86.0%

1-methyl-piperazine (109-01-3) + allyl alcohol (107-18-6) → 3-(4-methyl-1-piperazinyl)-1-propanol (5317-33-9)

Guidance literature:

With C₁₇H₁₆BrMnN₂O₃S; potassium carbonate; In toluene; at 100 ℃; for 12h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/acscatal.1c01199

Reference yield: 57.0%

1-methyl-piperazine (109-01-3) + 1-chloro-3-hydroxypropane (627-30-5) → 3-(4-methyl-1-piperazinyl)-1-propanol (5317-33-9)

Guidance literature:

With sodium hydroxide; In water; at 70 - 100 ℃;

DOI:10.1016/j.bmc.2009.07.047

upstream raw materials:

1-methyl-piperazine

allyl alcohol

3-(1-piperazinyl)-1-propanol

formaldehyd

Downstream raw materials:

3,4,5-trimethoxy-benzoic acid-[3-(4-methyl-piperazino)-propyl ester]

3-Amino-1-benzyl-1H-pyrazole-4-carboxylic acid 3-(4-methyl-piperazin-1-yl)-propyl ester; compound with oxalic acid

4-chloro-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline

4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline

Refernces

• 1、 Tasler, Stefan,Mueller, Oliver,Wieber, Tanja,Herz, Thomas,Pegoraro, Stefano,Saeb, Wael,Lang, Martin,Krauss, Rolf,Totzke, Frank,Zirrgiebel, Ute,Ehlert, Jan E.,Kubbutat, Michael H.G.,Schaechtele, Christoph. "Substituted 2-arylbenzothiazoles as kinase inhibitors: Hit-to-lead optimization". supporting information; experimental part. p. 6728 - 6737. Retrieved 2009/12/09.
• 2、 -. "2-arylbenzothiazole analogues and uses thereof". Page/Page column 14. . Retrieved 2008/06/13.