Ethyl 3-[(1H-pyrrole-2-carbonyl)-amino]propionate

Base Information

• Chemical Name: Ethyl 3-[(1H-pyrrole-2-carbonyl)-amino]propionate
• CAS No.: 129053-83-4
• Molecular Formula: C10H14N2O3
• Molecular Weight: 210.23
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80459799
• Nikkaji Number: J1.974.527I
• Wikidata: Q82283647
• Mol file: 129053-83-4.mol

Synonyms:129053-83-4;ETHYL 3-[(1H-PYRROLE-2-CARBONYL)-AMINO]PROPIONATE;Ethyl 3-(1H-pyrrole-2-carbonylamino)propanoate;Ethyl 3-(1H-pyrrole-2-carboxamido)propanoate;SCHEMBL13222147;DTXSID80459799;AKOS011080119;LS-12326;ethyl 3-[(1H-pyrrol-2-yl)formamido]propanoate;ethyl n-(1h-pyrrol-2-ylcarbonyl)-beta-alaninate;Ethyl N-(1H-pyrrole-2-carbonyl)-beta-alaninate

Chemical Property of Ethyl 3-[(1H-pyrrole-2-carbonyl)-amino]propionate

Chemical Property:

• PSA: 71.19000
• LogP: 1.08860
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 210.10044231
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-3-[(1H-PYRROLE-2-CARBONYL)-AMINO]PROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCNC(=O)C1=CC=CN1

Technology Process of Ethyl 3-[(1H-pyrrole-2-carbonyl)-amino]propionate

There total 3 articles about Ethyl 3-[(1H-pyrrole-2-carbonyl)-amino]propionate 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: 97.0%

pyrrol-2-yl trichloromethyl ketone (35302-72-8) + ethyl β-alaninate hydrochloride (4244-84-2) → 3-[(1H-pyrrole-2-carbonyl)-amino]-propionic acid ethyl ester (129053-83-4)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 48h;

DOI:10.1021/ol052266m

Reference yield: 74.0%

pyrrole (109-97-7,30604-81-0) + 3-amino-propionic acid ethyl ester (924-73-2) + trichloromethyl chloroformate (503-38-8) → 3-[(1H-pyrrole-2-carbonyl)-amino]-propionic acid ethyl ester (129053-83-4)

Guidance literature:

pyrrole; trichloromethyl chloroformate; With 2,3-Dimethylaniline; In toluene;

3-amino-propionic acid ethyl ester; In dichloromethane;

DOI:10.1016/j.tetlet.2003.10.074

Reference yield:

ethyl β-alaninate hydrochloride (4244-84-2) + pyrrole-2-carboxyl acid (634-97-9) → 3-[(1H-pyrrole-2-carbonyl)-amino]-propionic acid ethyl ester (129053-83-4)

Guidance literature:

With triethylamine; dicyclohexyl-carbodiimide; In dichloromethane; for 15h;

DOI:10.1071/CH9900355

upstream raw materials:

ethyl β-alaninate hydrochloride

pyrrole-2-carboxyl acid

pyrrole

3-amino-propionic acid ethyl ester

Downstream raw materials:

(Z)-debromohymenialdisine

hymenialdisine

(E)-4-(benzyloxyimino)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one

C₂₁H₂₅BN₂O₄

Refernces

• 1、 White, Alex W.,Carpenter, Nicholas,Lottin, Jerome R. P.,McClelland, Richard A.,Nicholson, Robert I.. "Synthesis and evaluation of novel anti-proliferative pyrroloazepinone and indoloazepinone oximes derived from the marine natural product hymenialdisine". . p. 246 - 253,8. Retrieved 2012/12/11.
• 2、 Tutino, Federico,Posteri, Helena,Borghi, Daniela,Quartieri, Francesca,Mongelli, Nicola,Papeo, Gianluca. "Stereoselective synthesis of (Z)-axino- and (Z)-debromoaxinohydantoin". experimental part. p. 2372 - 2376. Retrieved 2009/07/18.