1-(2-Furoyl)piperazine

Base Information

• Chemical Name: 1-(2-Furoyl)piperazine
• CAS No.: 40172-95-0
• Molecular Formula: C9H12N2O2
• Molecular Weight: 180.206
• Hs Code.: 29339900
• European Community (EC) Number: 254-823-7
• UNII: 8AUX72LL1P
• DSSTox Substance ID: DTXSID7057735
• Nikkaji Number: J332.377C
• Wikidata: Q27270123
• ChEMBL ID: CHEMBL3560648
• Mol file: 40172-95-0.mol

Synonyms:1-(2-Furoyl)piperazine;40172-95-0;furan-2-yl(piperazin-1-yl)methanone;1-(furan-2-carbonyl)piperazine;1-(2-Furoyl)-piperazine;n-(2-furoyl)piperazine;Piperazine, 1-(2-furanylcarbonyl)-;1-(Furan-2-ylcarbonyl)piperazine;MFCD00038831;UNII-8AUX72LL1P;8AUX72LL1P;DTXSID7057735;2-Furanyl-1-piperazinylmethanone;EINECS 254-823-7;(furan-2-yl)(piperazin-1-yl)methanone;ChemDiv2_000230;furoylpiperazine;N-furoylpiperazine;1-furoylpiperazine;N-furoyl piperazine;2-furoyl piperazine;2-Furoic piperazide;Terazosin Impurity L;N-2-Furoyl Piperazine;Prazosin EP Impurity D;2-Furylpiperazino ketone;n-(2-furoyl) piperazine;Oprea1_198664;SCHEMBL28752;1-(2-furylcarbonyl)piperazine;CHEMBL3560648;DTXCID8031524;1-(2-Furoyl)piperazine, 97%;HMS1369K10;N-(FURAN-2-OYL)PIPERAZINE;1-(furan-2-yl-methanoyl)piperazine;Tox21_113787;1-[(furan-2-yl)carbonyl]piperazine;furan-2-yl-piperazin-1-yl-methanone;STK324579;AKOS000264123;FS-1231;SB61034;SDCCGMLS-0065725.P001;NCGC00253662-01;BP-13003;CAS-40172-95-0;LS-192020;A6716;EU-0033740;FT-0601276;EN300-19815;H10776;AB00123261-02;AK-968/40153077;SR-01000391623;SR-01000391623-1;W-106385;1-PENTANONMETHANONE, 2-FURANYL-1-PIPERAZINYL-;PRAZOSIN HYDROCHLORIDE IMPURITY D [EP IMPURITY];Q27270123;F0266-0467;TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY L [EP IMPURITY];Terazosin impurity L, European Pharmacopoeia (EP) Reference Standard;N-(2-Furancarbonyl)piperazine;Prazosin BP Impurity D;Terazosin EP Impurity L

Chemical Property of 1-(2-Furoyl)piperazine

Chemical Property:

• Appearance/Colour: white to light yellow solid
• Vapor Pressure: 0.000321mmHg at 25°C
• Melting Point: 67-70 °C(lit.)
• Refractive Index: 1.5373 (estimate)
• Boiling Point: 320.3 °C at 760 mmHg
• PKA: 8.37±0.10(Predicted)
• Flash Point: 147.5 °C
• PSA: 45.48000
• Density: 1.175 g/cm³
• LogP: 0.59170
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Sensitive.: Hygroscopic
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.089877630
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

1-[(Furan-2-yl)carbonyl]piperazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1)C(=O)C2=CC=CO2
• Uses: 2-Furanyl-1-piperazinylmethanone was utilized in the fragment-based design of symmetrical bis-benzimidazole as inhibitors of R67 dihydrofolate reductase. 2-Furanyl-1-piperazinylmethanone (Terazosin EP Impurity L) was utilized in the fragment-based design of symmetrical bis-benzimidazole as inhibitors of R67 dihydrofolate reductase. 1-(2-Furoyl)piperazine may be used to synthesize: 2-[4-(2-furoyl) piperazin-1-yl]-4-amino-6-benzyloxy-7-methoxyquinazoline hydrochloride monohydrate2-[4-(2-furoyl)piperazin-1-yl]-4-amino-7-benzyloxy-6-methoxyquinazoline hydrochloride monohydrate4-amino-2-[4-(2-furoyl)piperazin-1-yl]-quinazoline hydrochloride6,7-dimethoxy-2-[4-(2-furoyl)-piperazin-1-yl]quinazoline-4-one hydrate1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-furoyl)-piperazine hydrogen oxalate1-(3,4-dichlorobenzyl)-4-(2-furoyl)-piperazine hydrogen oxalate4-(9-fluorenyl)-1-(2-furoyl)piperazine2-[4-(2-furoyl)piperazin-1-yl]-benzimidazole hydrochloride hydrate

Technology Process of 1-(2-Furoyl)piperazine

There total 14 articles about 1-(2-Furoyl)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: 92.0%

piperazine (110-85-0) + 2-furanoic acid (88-14-2) → N-(furan-2-carbonyl)piperazine (40172-95-0)

Guidance literature:

With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.1016/S0040-4039(03)00684-1

Reference yield: 89.0%

→ N-(furan-2-carbonyl)piperazine (40172-95-0)

Guidance literature:

Reference yield: 83.0%

piperazine (110-85-0) + 2-furanoic acid (88-14-2) + 1,1,1,3,3,3-hexamethyl-disilazane (999-97-3) → N-(furan-2-carbonyl)piperazine (40172-95-0)

Guidance literature:

In dichloromethane;

upstream raw materials:

2-furancarbonyl chloride

1-t-Butoxycarbonylpiperazine

piperazine

Ethyl 2-furoate

Downstream raw materials:

C₂₀H₂₃ClN₂O₄

2-[4-(furan-2-carbonyl)-piperazin-1-yl]-1-{4-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-ethanone

N-[4-(furan-2-carbonyl)-piperazine-1-carbothioyl]-benzamide

Refernces

• 1、 Mancuso, Francesca,Di Fiore, Anna,De Luca, Laura,Angeli, Andrea,De Simone, Giuseppina,Supuran, Claudiu T.,Gitto, Rosaria. "Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII". . . Retrieved 2021.
• 2、 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.