Ethyl 3-amino-1H-pyrrole-2-carboxylate hydrochloride

Base Information

• Chemical Name: Ethyl 3-amino-1H-pyrrole-2-carboxylate hydrochloride
• CAS No.: 252932-49-3
• Molecular Formula: C₇H₁₀N₂O₂*(x)ClH
• Molecular Weight: 190.63
• Hs Code.: 2933990090
• European Community (EC) Number: 801-525-5
• DSSTox Substance ID: DTXSID20586013
• Mol file: 252932-49-3.mol

Synonyms:252932-49-3;Ethyl 3-amino-1H-pyrrole-2-carboxylate hydrochloride;3-Amino-2-ethoxycarbonylpyrrole hydrochloride;3-Amino-2-ethoxycarbonylpyrrole HCl;3-Amino-2-ethoxycarbonylpyrrole, HCl;3-amino-1h-pyrrole-2-carboxylic acid ethyl ester hydrochloride;MFCD04038917;ethyl 3-amino-1H-pyrrole-2-carboxylate;hydrochloride;Ethyl 3-amino-1H-pyrrole-2-carboxylate HCl;Ethyl 3-Aminopyrrole-2-carboxylate Hydrochloride;SCHEMBL352185;DTXSID20586013;CS-D1578;AKOS005145863;AC-7908;PS-8373;BP-13044;SY009083;DB-003915;A5116;AM20090303;3-Amino-2- ethoxycarbonyl pyrrole hydrochloride;3-Amino-2-ethoxycarbonylpyrrole, hydrochloride;EN300-396206;Ethyl3-amino-1H-pyrrole-2-carboxylatehydrochloride;W-206944;Z1741968320;3-Amino-1H-pyrrole-2-carboxylicacidethylesterhydrochloride;3-Amino-2-ethoxycarbonylpyrrole hydrochloride, AldrichCPR;Ethyl 3-amino-1H-pyrrole-2-carboxylate--hydrogen chloride (1/1)

Chemical Property of Ethyl 3-amino-1H-pyrrole-2-carboxylate hydrochloride

Chemical Property:

• Vapor Pressure: 0.000582mmHg at 25°C
• Melting Point: 198-204°C
• Boiling Point: 310.9 °C at 760 mmHg
• Flash Point: 141.8 °C
• PSA: 68.11000
• LogP: 2.15680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.0509053
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

Ethyl 3-amino-1H-pyrrole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=CN1)N.Cl

Technology Process of Ethyl 3-amino-1H-pyrrole-2-carboxylate hydrochloride

There total 2 articles about Ethyl 3-amino-1H-pyrrole-2-carboxylate hydrochloride 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: 57.0%

diethyl 2-(2-cyanovinylamino)malonate (1021175-71-2) → 3-amino-2-ethoxycarbonylpyrrole hydrochloride (252932-49-3)

Guidance literature:

diethyl 2-((2-cyanovinyl)amino)malonate; With sodium ethanolate; In ethanol; toluene; Heating;

With hydrogenchloride; In ethyl acetate; isopropyl alcohol; at 25 ℃; for 2.16667h;

Reference yield:

3-amino-2-ethoxycarbonylpyrrole (252932-48-2) → 3-amino-2-ethoxycarbonylpyrrole hydrochloride (252932-49-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane;

Reference yield: 80.0%

formamidine acetic acid (3473-63-0) + 3-amino-2-ethoxycarbonylpyrrole hydrochloride (252932-49-3) → 9-deazahypoxanthine (5655-01-6)

Guidance literature:

In ethanol; at 110 ℃; for 18h;

upstream raw materials:

3-amino-2-ethoxycarbonylpyrrole

diethyl 2-(2-cyanovinylamino)malonate

Downstream raw materials:

9-deazahypoxanthine

3-amino-2-ethoxycarbonylpyrrole

3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

2,4-Dioxo-1,2,3,4-tetrahydropyrrolo<3,2-d>pyrimidine

Refernces

• 1、 Wu, Xiaoqing,Li, Mingdong,Tang, Wenhua,Zheng, Youguang,Lian, Jiqin,Xu, Liang,Ji, Min. "Design, synthesis, and in vitro antitumor activity evaluation of novel 4-pyrrylamino quinazoline derivatives". experimental part. p. 932 - 940. Retrieved 2012/03/11.