1H-pyrrole-1-carboxylic acid

Base Information

Chemical Name:1H-pyrrole-1-carboxylic acid
CAS No.:21972-99-6
Molecular Formula:C5H5NO2
Molecular Weight:111.1
Hs Code.:
DSSTox Substance ID:DTXSID50392306
Nikkaji Number:J137.951H
Wikidata:Q82190420
Mol file:21972-99-6.mol

Synonyms:1H-pyrrole-1-carboxylic acid;21972-99-6;Pyrrole-1-carboxylic Acid;pyrrole-n-carboxylic acid;1H-pyrrole-1-carboxylicacid;SCHEMBL28299;DTXSID50392306;AMY31717;SB63744;EN300-258209

Suppliers and Price of 1H-pyrrole-1-carboxylic acid

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

AccelPharmtech
1H-Pyrrole-1-carboxylicacid 97.00%
25G
$ 3120.00

AccelPharmtech
1H-Pyrrole-1-carboxylicacid 97.00%
5G
$ 1700.00

AccelPharmtech
1H-Pyrrole-1-carboxylicacid 97.00%
1G
$ 1530.00

Total 4 raw suppliers

Chemical Property of 1H-pyrrole-1-carboxylic acid

Chemical Property:

PSA：42.23000
LogP:1.01420
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:111.032028402
Heavy Atom Count:8
Complexity:96.6

Purity/Quality:

99% ^*data from raw suppliers

1H-Pyrrole-1-carboxylicacid 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CN(C=C1)C(=O)O

Technology Process of 1H-pyrrole-1-carboxylic acid

There total 1 articles about 1H-pyrrole-1-carboxylic acid 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: 60.0%

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

: 124-38-9,18923-20-1
carbon dioxide

: 21972-99-6
pyrrole-1-carboxylic acid

: 634-97-9
pyrrole-2-carboxyl acid

Guidance literature:: With lithium tert-butoxide; In N,N-dimethyl-formamide; at 100 ℃; for 24h; under 760.051 Torr;

Reference yield: 24.0%

: 21972-99-6
pyrrole-1-carboxylic acid

: 7-(N-methoxy-N-methylcarbamoyl)-6-ethyl-2-benzyloxycarbonyl-2-azabicyclo[4.1.0]heptane

: benzyl 6-ethyl-7-(1H-pyrrole-2-carbonyl)-2-azabicyclo[4.1.0]heptane-2-carboxylate

Guidance literature:: pyrrole-1-carboxylic acid; With tert.-butyl lithium; lithium chloride; In tetrahydrofuran; at -78 ℃; for 3h; Inert atmosphere;

7-(N-methoxy-N-methylcarbamoyl)-6-ethyl-2-benzyloxycarbonyl-2-azabicyclo[4.1.0]heptane; In tetrahydrofuran; at -78 - -20 ℃; for 0.666667h; Inert atmosphere;
DOI:10.1002/chem.201102583

Reference yield:

: 21972-99-6
pyrrole-1-carboxylic acid

: 4277-63-8
methyl 1H-pyrrole-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride (EDCl*HCl) / CH₂Cl₂ / 0.25 h / 25 °C

2: 69 percent / tetrahydrofuran / 0.25 h / -20 °C

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jo00387a046