Ethyl 4-nitroso-1-piperazinecarboxylate

Base Information

• Chemical Name: Ethyl 4-nitroso-1-piperazinecarboxylate
• CAS No.: 13256-15-0
• Molecular Formula: C₇H₁₃N₃O₃
• Molecular Weight: 187.199
• Hs Code.: 2933599090
• European Community (EC) Number: 634-330-7
• UNII: D8K56V729T
• DSSTox Substance ID: DTXSID50157619
• Nikkaji Number: J35.449J
• Wikidata: Q27276250
• ChEMBL ID: CHEMBL350935
• Mol file: 13256-15-0.mol

Synonyms:13256-15-0;Ethyl 4-nitroso-1-piperazinecarboxylate;ethyl 4-nitrosopiperazine-1-carboxylate;N-Nitroso-N'-carbethoxypiperazine;BRN 0166941;N-Nitroso-N'-carbaethoxypiperazin;UNII-D8K56V729T;N-Nitroso-N'-carbaethoxypiperazin [German];4-NITROSOPIPERAZINE-1-CARBOXYLIC*ACID ETHYL ESTER;D8K56V729T;4-Nitrosopiperazine-1-carboxylic acid ethyl ester;1-PIPERAZINECARBOXYLIC ACID, 4-NITROSO-, ETHYL ESTER;C7H13N3O3;CHEMBL350935;DTXSID50157619;OYHRVILJSHWJAE-UHFFFAOYSA-N;LS-110972;4-Nitroso-1-piperazinecarboxylic acid ethyl ester;EN300-24209285;1-Piperazinecarboxylic acid, 4-nitroso- ethyl ester;Q27276250;Z1255419369

Chemical Property of Ethyl 4-nitroso-1-piperazinecarboxylate

Chemical Property:

• Vapor Pressure: 0.000106mmHg at 25°C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 337.3°Cat760mmHg
• Flash Point: 157.8°C
• PSA: 62.21000
• Density: 1.3g/cm³
• LogP: 0.31770
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 187.09569129
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCN(CC1)N=O

Technology Process of Ethyl 4-nitroso-1-piperazinecarboxylate

There total 1 articles about Ethyl 4-nitroso-1-piperazinecarboxylate 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: 91.0%

4-ethoxycarbonylpiperazine (120-43-4) → 4-nitroso-piperazine-1-carboxylic acid ethyl ester (13256-15-0)

Guidance literature:

With 2-nitropropane; 4-(4-fluorophenyl)naphthalene-1,2-dione; oxygen; at 80 ℃; for 12h;

DOI:10.1021/acscatal.9b03442

Reference yield:

4-nitroso-piperazine-1-carboxylic acid ethyl ester (13256-15-0) → 4-amino-piperazine-1-carboxylic acid ethyl ester (64268-81-1)

Guidance literature:

With acetic acid; zinc;

DOI:10.1021/jo01159a019

upstream raw materials:

4-ethoxycarbonylpiperazine

Downstream raw materials:

4-amino-piperazine-1-carboxylic acid ethyl ester

Refernces

• 1、 Kim, Hun Young,Oh, Kyungsoo,Si, Tengda. "Substrate promiscuity of ortho-naphthoquinone catalyst: Catalytic aerobic amine oxidation protocols to deaminative cross-coupling and n-nitrosation". . p. 9216 - 9221. Retrieved 2019/10/08.