1-(2-Methoxybenzoyl)piperazine

Base Information

• Chemical Name: 1-(2-Methoxybenzoyl)piperazine
• CAS No.: 100939-88-6
• Molecular Formula: C12H16N2O2
• Molecular Weight: 220.271
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10355316
• Nikkaji Number: J1.213.052J
• Wikidata: Q82134125
• ChEMBL ID: CHEMBL158884
• Mol file: 100939-88-6.mol

Synonyms:100939-88-6;1-(2-methoxybenzoyl)piperazine;(2-methoxyphenyl)(piperazin-1-yl)methanone;(2-methoxyphenyl)-piperazin-1-ylmethanone;Methanone, (2-methoxyphenyl)-1-piperazinyl-;CHEMBL158884;(2-methoxyphenyl)-(2,3,5,6-tetrahydropyrazin-1-yl)methanone;(2-METHOXYPHENYL)(PIPERAZIN-1-YL) METHANONE;1-[(2-METHOXYPHENYL)CARBONYL]PIPERAZINE;(2-Methoxyphenyl)piperazin-1-ylmethanone;TimTec1_008339;Oprea1_445119;Oprea1_771833;SCHEMBL595000;DTXSID10355316;HMS1557L01;BDBM50226213;GS3268;MFCD02256018;STL183865;AKOS000125246;AB10309;1-(2-methoxybenzoyl)piperazine x1CF3COOH;1-(2-Methoxybenzoyl)piperazine, AldrichCPR;BB 0253922;CS-0120146;EN300-36106;Z228586826

Chemical Property of 1-(2-Methoxybenzoyl)piperazine

Chemical Property:

• Vapor Pressure: 1.8E-06mmHg at 25°C
• Boiling Point: 395.8oC at 760 mmHg
• PKA: 8.38±0.10(Predicted)
• Flash Point: 193.2oC
• PSA: 41.57000
• Density: 1.132g/cm3
• LogP: 1.00730
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C(=O)N2CCNCC2

Technology Process of 1-(2-Methoxybenzoyl)piperazine

There total 5 articles about 1-(2-Methoxybenzoyl)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: 100.0%

4-(2-methoxy-benzoyl)-piperazine-1-carboxylic acid tert-butyl ester (1269606-63-4) → (2-methoxyphenyl)(piperazin-1-yl)methanone (100939-88-6)

Guidance literature:

With trifluoroacetic acid;

Reference yield: 90.0%

piperazine (110-85-0) + 2-Methoxybenzoyl chloride (21615-34-9) → (2-methoxyphenyl)(piperazin-1-yl)methanone (100939-88-6)

Guidance literature:

piperazine; With n-butyllithium; In tetrahydrofuran; at 20 ℃;

2-Methoxybenzoyl chloride; In tetrahydrofuran;

DOI:10.1021/jo9908501

Reference yield:

2-Methoxybenzoyl chloride (21615-34-9) → (2-methoxyphenyl)(piperazin-1-yl)methanone (100939-88-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / diethyl ether

2: acetonitrile / 25 °C

With triethylamine; In diethyl ether; acetonitrile;

DOI:10.1021/jo201387h

upstream raw materials:

piperazine

2-Methoxybenzoyl chloride

4-nitrophenyl 2-methoxybenzoate

2-Methoxybenzoic acid

Downstream raw materials:

{4-[2-(4-fluoro-phenyl)-2-hydroxy-ethyl]-piperazin-1-yl}-(2-methoxy-phenyl)-methanone

2-[4-(2-methoxybenzoyl)-1-piperazinomethyl]-3,5,6-trimethylpyrazine

{4-[3-(4,5-Bis-hydroxymethyl-2-methyl-pyridin-3-yloxy)-2-hydroxy-propyl]-piperazin-1-yl}-(2-methoxy-phenyl)-methanone; hydrochloride