2-Propionylpyrrole

Base Information

• Chemical Name: 2-Propionylpyrrole
• CAS No.: 1073-26-3
• Molecular Formula: C7H9 N O
• Molecular Weight: 123.155
• Hs Code.: 2933990090
• European Community (EC) Number: 214-026-7
• NSC Number: 81353
• UNII: HGS11XF57F
• DSSTox Substance ID: DTXSID30147997
• Nikkaji Number: J87.529E
• Wikidata: Q27279924
• Metabolomics Workbench ID: 45564
• Mol file: 1073-26-3.mol

Synonyms:2-Propionylpyrrole;1073-26-3;1-(1H-Pyrrol-2-yl)propan-1-one;Ethyl 2-pyrrolyl ketone;2-Pyrryl ethyl ketone;alpha-Propionylpyrrole;1-(2-Pyrrolyl)-1-propanone;alpha-Pyrryl ethyl ketone;1-(1H-PYRROL-2-YL)-1-PROPANONE;FEMA No. 3614;1-Propanone, 1-(1H-pyrrol-2-yl)-;1-Propanone, 1-pyrrol-2-yl-;2-Propanoylpyrrole;2-propionyl pyrrole;Pyrrole, 2-propionyl;EINECS 214-026-7;NSC 81353;1H-Pyrrole, 2-propionyl;UNII-HGS11XF57F;BRN 0108936;HGS11XF57F;NSC-81353;4-21-00-03456 (Beilstein Handbook Reference);2-Propionylpyrrol;1-Propanone,1-(1H-pyrrol-2-yl)-;PROPIONYLPYRROLE, 2-;1-Pyrrol-2-yl-1-Propanone;SCHEMBL261326;2-Propionylpyrrole, AldrichCPR;.ALPHA.-PROPIONYLPYRROLE;DTXSID30147997;2-PROPIONYLPYRROLE [FHFI];CHEBI:173334;.ALPHA.-PYRRYL ETHYL KETONE;NSC81353;MFCD01696449;1-(1H-pyrrol-2-yl)-propan-1-one;AKOS009103715;LS-3063;SB62719;1-PROPANONE, 1-(2-PYRRYL)-;AM802893;BS-22951;CS-0196488;A801671;W-108751;Q27279924

Chemical Property of 2-Propionylpyrrole

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 0.0512mmHg at 25°C
• Melting Point: 48-51°C
• Refractive Index: 1.5380 (estimate)
• Boiling Point: 235 °C at 760 mmHg
• PKA: 14.95±0.50(Predicted)
• Flash Point: 101.7 °C
• PSA: 32.86000
• Density: 1.063 g/cm³
• LogP: 1.60740
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Propionylpyrrole ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=CN1

Technology Process of 2-Propionylpyrrole

There total 14 articles about 2-Propionylpyrrole 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: 98.0%

pyrrole (109-97-7,30604-81-0) + N,N-dimethyl-propanamide (758-96-3) → 2-propionylpyrrole (1073-26-3)

Guidance literature:

N,N-dimethyl-propanamide; With trichlorophosphate; at 0 - 20 ℃; for 0.25h;

pyrrole; In 1,2-dichloro-ethane; at 0 ℃; for 0.5h; Heating / reflux;

With sodium acetate; In water; 1,2-dichloro-ethane; for 0.5h; Heating / reflux;

Reference yield: 93.0%

2-(N-methylpropanimidoyl)pyrrole (101822-48-4) → 2-propionylpyrrole (1073-26-3)

Guidance literature:

With water; sodium acetate; for 0.5h; Reflux;

DOI:10.1016/j.tet.2015.05.005

Reference yield: 77.0%

pyrrole (109-97-7,30604-81-0) + propionyl chloride (79-03-8) → 2-propionylpyrrole (1073-26-3)

Guidance literature:

With potassium carbonate; zinc; In toluene; at -50 - 20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.crci.2017.01.003

upstream raw materials:

2-propionylfuran

pyrrole

propionic acid anhydride

propionyl chloride

Downstream raw materials:

1-pyrrol-2-yl-propan-1-ol

Refernces

• 1、 Faye, Djiby,Mbaye, Mbaye Diagne,Coufourier, Sébastien,Lator, Alexis,Dieng, Samba Yandé,Gaillard, Sylvain,Renaud, Jean-Luc. "Zinc mediated straightforward access to diacylpyrroles". . p. 492 - 499. Retrieved 2017/05/19.
• 2、 Lv, Kai,Wang, Li-Li,Zhou, Xin-Bo,Liu, Ming-Liang,Liu, Hong-Ying,Zheng, Zhi-Bing,Li, Song. "Synthesis and in vitro antitumor activity of 1-(3-dimethylamino)propyl indolin-2-one derivatives". . p. 1723 - 1729. Retrieved 2013/07/26.