2-(1H-pyrrol-1-yl)-1-ethanamine

Base Information

• Chemical Name: 2-(1H-pyrrol-1-yl)-1-ethanamine
• CAS No.: 29709-35-1
• Molecular Formula: C6H10 N2
• Molecular Weight: 110.159
• Hs Code.: 2933990090
• European Community (EC) Number: 826-509-5
• DSSTox Substance ID: DTXSID90377152
• Nikkaji Number: J1.830.755C
• Wikidata: Q82166241
• Mol file: 29709-35-1.mol

Synonyms:29709-35-1;2-(1H-pyrrol-1-yl)ethanamine;2-(1H-pyrrol-1-yl)-1-ethanamine;2-pyrrol-1-ylethanamine;1H-Pyrrole-1-ethanamine;[2-(1H-pyrrol-1-yl)ethyl]amine;2-(1H-pyrrol-1-yl)ethan-1-amine;MFCD00958089;1-(2-aminoethyl)pyrrole;N-(2-aminoethyl)azole;1H-Pyrrole-1-ethaneamine;2-pyrrol-1-yl-ethanamine;2-(1-pyrrolyl)-ethylamine;SCHEMBL129989;F2147-0151;DTXSID90377152;HPDIRFBJYSOVKW-UHFFFAOYSA-N;STL301079;AKOS005070253;SB63901;2-(1H-Pyrrol-1-yl)ethanamine, >=95%;2-(1H-Pyrrol-1-yl)ethanamine, AldrichCPR;BB 0260251;CS-0072896;FT-0638877;EN300-85061;A21648;C74522;3R-0643;J-505367

Chemical Property of 2-(1H-pyrrol-1-yl)-1-ethanamine

Chemical Property:

• Vapor Pressure: 0.477mmHg at 25°C
• Refractive Index: n/D 1.5227
• Boiling Point: 192.9°Cat760mmHg
• PKA: 7.53±0.10(Predicted)
• Flash Point: 70.5°C
• PSA: 30.95000
• Density: 1.02g/cm³
• LogP: 1.14710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.084398327
• Heavy Atom Count: 8
• Complexity: 57.5

Purity/Quality:

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

2-(1H-Pyrrol-1-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=C1)CCN
• Uses: 2-(1H-Pyrrol-1-yl)ethanamine may be used in the preparation of dihydropyrrolo[2′,1′:3,4]pyrazino[2,1-a]isoindolones by reacting with 2-formylbenzoic acids or 2-acetylbenzoic acid via N-acyliminium cation aromatic cyclizations. This product was previously listed as CBR00085.

Technology Process of 2-(1H-pyrrol-1-yl)-1-ethanamine

There total 12 articles about 2-(1H-pyrrol-1-yl)-1-ethanamine 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: 100.0%

pyrrole (109-97-7,30604-81-0) + chloroethylamine (689-98-5) → 1-(2-aminoethyl)pyrrole (29709-35-1)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide;

DOI:10.1021/acsinfecdis.6b00193

Reference yield: 86.0%

pyrrole (109-97-7,30604-81-0) + 2-chloroethanamine hydrochloride (870-24-6) → 1-(2-aminoethyl)pyrrole (29709-35-1)

Guidance literature:

pyrrole; With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide; In acetonitrile; at 20 ℃; for 0.5h;

2-chloroethanamine hydrochloride; In acetonitrile; for 24h; Reflux;

DOI:10.1021/ol2018328

Reference yield: 65.0%

N-[2-(1H-pyrrol-1-yl)ethyl]acetamide (73627-16-4) → 1-(2-aminoethyl)pyrrole (29709-35-1)

Guidance literature:

With potassium hydroxide; for 2h; Heating;

DOI:10.1055/s-1981-29499

upstream raw materials:

2-(1H-pyrrol-1-yl)acetonitrile

pyrrol-1-yl-acetic acid amide

1,4-bis-(dimethylamino)-1,3-butadiene

ethylenediamine

Downstream raw materials:

1-(2-(N-benzoylamino)ethyl)pyrrole

6-chloro-N-(2-pyrrol-1-yl-ethyl)nicotinamide

4,5-difluoro-3-(3,5-dimethylphenylsulfonyl)-indole-2-(2-(1-pyrrolo)-ethyl)-carboxamide

1,2,3,4-Tetrahydropyrrolo<1,2-a>pyrazine

Refernces

• 1、 Tian, Yu-Ting,Zong, Yu-Wei,Nie, Jing,Zhang, Fa-Guang,Ma, Jun-An. "Construction of pyrrole- and indole-fused CF3-piperazine derivatives". . . Retrieved 2019/09/03.
• 2、 Yang, Shaoning,Lu, Dingqiang,Ouyang, Pingkai. "Design, synthesis and evaluation of novel N-phenylbutanamide derivatives as KCNQ openers for the treatment of epilepsy". supporting information. p. 3004 - 3008. Retrieved 2018/07/31.