Morpholin-4-yl-piperazin-1-yl-methanone

Base Information

• Chemical Name: Morpholin-4-yl-piperazin-1-yl-methanone
• CAS No.: 98834-08-3
• Molecular Formula: C9H17 N3 O2
• Molecular Weight: 199.253
• Hs Code.: 2934999090
• European Community (EC) Number: 664-219-9
• DSSTox Substance ID: DTXSID90351437
• Wikidata: Q82127851
• ChEMBL ID: CHEMBL1303432
• Mol file: 98834-08-3.mol

Synonyms:Morpholin-4-yl-piperazin-1-yl-methanone;98834-08-3;morpholin-4-yl(piperazin-1-yl)methanone;4-(piperazine-1-carbonyl)morpholine;4-(piperazin-1-ylcarbonyl)morpholine;morpholino(piperazin-1-yl)methanone;piperazinocarboxylic acid morpholide;MFCD03844725;morpholine-4-yl-piperazine-1-yl-methanone;BAS 09621251;morpholino(piperazin-1-yl)methanone hydrochloride;morpholinepiperazinemethanone;N-morpholinocarbonylpiperazine;MLS000528975;SCHEMBL388370;F1757-0249;CHEMBL1303432;DTXSID90351437;QRFWUPFGDJAVNO-UHFFFAOYSA-N;HMS2349K09;4-(1-piperazinylcarbonyl)morpholine;YDA83408;STL308698;AKOS000263530;AS-44243;SMR000121450;(Morpholin-4-yl)(piperazin-1-yl)methanone;FT-0695081;EN300-57462;VU0157231-3;A845915

Chemical Property of Morpholin-4-yl-piperazin-1-yl-methanone

Chemical Property:

• Vapor Pressure: 0.000159mmHg at 25°C
• Boiling Point: 331.1°Cat760mmHg
• PKA: 8.48±0.10(Predicted)
• Flash Point: 154.1°C
• PSA: 44.81000
• Density: 1.176g/cm³
• LogP: -0.45160
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 199.132076794
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

4-(Piperazine-1-carbonyl)morpholine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1)C(=O)N2CCOCC2

Technology Process of Morpholin-4-yl-piperazin-1-yl-methanone

There total 5 articles about Morpholin-4-yl-piperazin-1-yl-methanone 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: 6.0%

morpholine (110-91-8,99108-56-2) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → piperazinocarboxylic acid morpholide (98834-08-3)

Guidance literature:

morpholine; With bis(trichloromethyl) carbonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 3 ℃; for 1h;

1-t-Butoxycarbonylpiperazine; In dichloromethane; at 0 - 20 ℃;

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

Reference yield:

4-(4-morpholinylcarbonyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester (163587-60-8) → piperazinocarboxylic acid morpholide (98834-08-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2013.12.050

Reference yield:

4-morpholinocarbonyl chloride (15159-40-7) → piperazinocarboxylic acid morpholide (98834-08-3)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / 0 - 20 °C

2: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1016/j.bmc.2013.12.050

upstream raw materials:

4-(4-morpholinylcarbonyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester

4-morpholinocarbonyl chloride

morpholine

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

(4-(4-(methylsulfonyl)phenyl)piperazin-1-yl)(morpholino)methanone

morpholino(4-(4-nitrophenyl)piperazin-1-yl)methanone

(4-(2,4-dichlorophenyl)piperazin-1-yl)(morpholino)methanone

(4-(4-chloro-2-methylphenyl)piperazin-1-yl)(morpholino)methanone