Ethyl piperazine-1-carboxylate monohydrochloride

Base Information

• Chemical Name: Ethyl piperazine-1-carboxylate monohydrochloride
• CAS No.: 24280-45-3
• Molecular Formula: C7H14 N2 O2 . Cl H
• Molecular Weight: 194.661
• Hs Code.: 2933599090
• European Community (EC) Number: 246-118-8
• NSC Number: 280827,26174
• DSSTox Substance ID: DTXSID10179014
• Mol file: 24280-45-3.mol

Synonyms:Ethyl piperazine-1-carboxylate monohydrochloride;24280-45-3;1-Carbethoxypiperazine hydrochloride;EINECS 246-118-8;NSC 26174;ethyl piperazine-1-carboxylate;hydrochloride;1-Piperazinecarboxylic acid, ethyl ester, monohydrochloride;1-ethoxycarbonylpiperazine hydrochloride;C7H14N2O2.ClH;SCHEMBL11491904;DTXSID10179014;C7-H14-N2-O2.Cl-H;NSC26174;NSC-26174;NSC280827;NSC-280827;LS-110898

Chemical Property of Ethyl piperazine-1-carboxylate monohydrochloride

Chemical Property:

• Vapor Pressure: 0.0459mmHg at 25°C
• Boiling Point: 237°Cat760mmHg
• Flash Point: 97.1°C
• PSA: 41.57000
• Density: 1.071g/cm³
• LogP: 1.11680
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.0822054
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCNCC1.Cl

Technology Process of Ethyl piperazine-1-carboxylate monohydrochloride

There total 2 articles about Ethyl piperazine-1-carboxylate monohydrochloride 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: 96.0%

tert-butyl 4-ethoxycarbonylpiperazine-1-carboxylate (219509-82-7) → 1-ethoxycarbonylpiperazine hydrochloride (24280-45-3)

Guidance literature:

With hydrogenchloride; In dichloromethane; ethyl acetate; at 20 ℃; for 0.5h; Inert atmosphere;

Reference yield:

4-ethoxycarbonylpiperazine (120-43-4) + dichloroacetic acid methyl ester (116-54-1) → C23H40N6O7 + 1-ethoxycarbonylpiperazine hydrochloride (24280-45-3)

Guidance literature:

at 75 ℃; for 0.5h;

DOI:10.1002/chem.202002410

Reference yield: 84.0%

(S)-5-(1-((tert-butoxycarbonyl)amino)ethyl)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-1,3-oxazole-4-carboxylic acid + 1-ethoxycarbonylpiperazine hydrochloride (24280-45-3) → (S)-ethyl 4-(5-(1-((tert-butoxycarbonyl)amino)ethyl)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate

Guidance literature:

With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 5h; Inert atmosphere;

upstream raw materials:

tert-butyl 4-ethoxycarbonylpiperazine-1-carboxylate

4-ethoxycarbonylpiperazine

dichloroacetic acid methyl ester

Downstream raw materials:

ethyl 4-(2-pirymidinyl)-1-piperazinecarboxylate

4,4'-methanediyl-bis-piperazine-1-carboxylic acid diethyl ester

4-[cyano-(2,3,4-trimethoxy-phenyl)-methyl]-piperazine-1-carboxylic acid ethyl ester

Refernces

• 1、 -. "HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF". Paragraph 00415. . Retrieved 2016/05/02.