1-Tetrahydrofurfuryl-piperazine

Base Information

• Chemical Name: 1-Tetrahydrofurfuryl-piperazine
• CAS No.: 82500-35-4
• Molecular Formula: C9H18 N2 O
• Molecular Weight: 170.255
• Hs Code.: 29349990
• European Community (EC) Number: 625-064-2
• DSSTox Substance ID: DTXSID10371955
• Nikkaji Number: J1.974.585F
• ChEMBL ID: CHEMBL4525170
• Mol file: 82500-35-4.mol

Synonyms:1-Tetrahydrofurfuryl-piperazine;82500-35-4;1-((Tetrahydrofuran-2-yl)methyl)piperazine;1-(oxolan-2-ylmethyl)piperazine;1-(Tetrahydro-furan-2-ylmethyl)-piperazine;1-tetrahydrofurfurylpiperazine;1-[(oxolan-2-yl)methyl]piperazine;1-(Tetrahydro-2-furylmethyl)piperazine;1-(tetrahydrofuran-2-ylmethyl)piperazine;MFCD02093558;1-(tetrahydrofurfuryl)piperazine;SCHEMBL487732;CHEMBL4525170;DTXSID10371955;GKBPGHNDWVURBD-UHFFFAOYSA-N;2-(Piperazinomethyl)tetrahydrofuran;STR10028;AKOS000118591;AKOS016040163;CS-W004005;TS-02317;1-(tetrahydrofuran-2-ylmethyl)-piperazine;FT-0641870;FT-0643475;EN300-33353;A840359;1-(Tetrahydro-2-furylmethyl)piperazine, >=98.0%;Z57032580

Chemical Property of 1-Tetrahydrofurfuryl-piperazine

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Melting Point: 115-117℃
• Refractive Index: n20/D 1.495
• Boiling Point: 143-148°C 3mm
• PKA: 9.15±0.10(Predicted)
• Flash Point: 116.557°C
• PSA: 24.50000
• Density: 1.02g/cm³
• LogP: 0.33730
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.141913202
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

1-(Oxolan-2-ylmethyl)piperazine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(OC1)CN2CCNCC2

Technology Process of 1-Tetrahydrofurfuryl-piperazine

There total 5 articles about 1-Tetrahydrofurfuryl-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: 93.0%

4-(tetrahydrofuran-2-ylmethyl)piperazine-1-carboxylic acid ethyl ester → 1-((tetrahydrofuran-2-yl)methyl)piperazine (82500-35-4,832698-69-8)

Guidance literature:

With potassium hydroxide; water; In ethanol; for 20h; Heating;

DOI:10.1002/jhet.5570400523

Reference yield: 75.0%

piperazine (110-85-0) + Tetrahydrofurfuryl chloride (3003-84-7) → 1-((tetrahydrofuran-2-yl)methyl)piperazine (82500-35-4,832698-69-8)

Guidance literature:

at 150 ℃; for 4h;

DOI:10.1002/jhet.5570400523

Reference yield:

tetrahydrofuran-2-carbaldehyde (7681-84-7) → 1-((tetrahydrofuran-2-yl)methyl)piperazine (82500-35-4,832698-69-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dichloromethane / 3 h / 20 °C / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

With trifluoroacetic acid; In dichloromethane;

DOI:10.1021/acs.jmedchem.1c00735

upstream raw materials:

piperazine

Tetrahydrofurfuryl chloride

tetrahydrofuran-2-carbaldehyde

Downstream raw materials:

5-(4-((tetrahydrofuran-2-yl)methyl)piperazin-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

C₂₄H₂₉FN₆O

4-(Tetrahydro-furan-2-ylmethyl)-piperazine-1-carboxylic acid 4-[2-(4-chloro-phenyl)-ethylcarbamoyl]-phenyl ester

4-(Tetrahydrofuran-2-ylmethyl)-piperazine-1-carboxylic acid 4-(3-chloro-5-trifluoromethyl-pyridin-2-yloxy)-phenyl ester

Refernces

• 1、 Long, Huan,Hu, Xiaolong,Wang, Baolin,Wang, Quan,Wang, Rong,Liu, Shumeng,Xiong, Fei,Jiang, Zhenzhou,Zhang, Xiao-Qi,Ye, Wen-Cai,Wang, Hao. "Discovery of Novel Apigenin-Piperazine Hybrids as Potent and Selective Poly (ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors for the Treatment of Cancer". . p. 12089 - 12108. Retrieved 2021/09/06.