1H-Pyrrole, 1-ethynyl-

Base Information

Chemical Name:1H-Pyrrole, 1-ethynyl-
CAS No.:139565-93-8
Molecular Formula:C6H5N
Molecular Weight:91.1124
Hs Code.:
DSSTox Substance ID:DTXSID70456439
Nikkaji Number:J618.925C
Mol file:139565-93-8.mol

Synonyms:1-ethynylpyrrole;1H-Pyrrole, 1-ethynyl-;139565-93-8;1-ethynyl-1h-pyrrole;N-ethynylpyrrole;starbld0001069;DTXSID70456439;MFCD18449449;SY273776

Suppliers and Price of 1H-Pyrrole, 1-ethynyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
N-Ethynylpyrrole
50mg
$ 85.00

Total 3 raw suppliers

Chemical Property of 1H-Pyrrole, 1-ethynyl-

Chemical Property:

PSA：4.93000
LogP:0.92690
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:91.042199164
Heavy Atom Count:7
Complexity:92

Purity/Quality:

97% ^*data from raw suppliers

N-Ethynylpyrrole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CN1C=CC=C1
General Description 1H-Pyrrole, 1-ethynyl- (also known as N-ethynylpyrrole) is a pyrrole derivative substituted with an ethynyl group at the nitrogen position. It can be synthesized efficiently by reacting pyrrole with potassium tert-butoxide and trichloroethene in tetrahydrofuran, followed by dechlorination using methyllithium or n-butyllithium in diethyl ether, yielding the product in good overall yields.

Technology Process of 1H-Pyrrole, 1-ethynyl-

There total 4 articles about 1H-Pyrrole, 1-ethynyl- 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: 90.0%

: 139565-92-7
N-(α,β-dichlorovinyl)pyrrole

: 139565-93-8
N-ethynylpyrrole

Guidance literature:: With methyllithium; In diethyl ether; for 1h;
DOI:10.1021/ja00035a013

Reference yield: 25.0%

: 109-97-7,30604-81-0
pyrrole

: 540-59-0,43695-79-0
1,2-Dichloroethylene

: 139565-93-8
N-ethynylpyrrole

Guidance literature:: With potassium hydroxide; In dimethyl sulfoxide; at 45 - 50 ℃; for 0.166667h;

Reference yield:

: N-(1,2-dichlorovinyl)-pyrrole

: 139565-93-8
N-ethynylpyrrole

Guidance literature:: With water; methyllithium; Yield given. Multistep reaction; 1.) Et₂O, 15 deg C, 2 h, 2.) Et₂O, -30 deg C to 5 deg C;
DOI:10.1080/00397919408010587