1,3,5-Trimethyl-1H-pyrrole-2-carboxylic acid

Base Information

Chemical Name:1,3,5-Trimethyl-1H-pyrrole-2-carboxylic acid
CAS No.:756760-16-4
Molecular Formula:C8H11 N O2
Molecular Weight:153.181
Hs Code.:
DSSTox Substance ID:DTXSID60604649
Wikidata:Q72514401
Mol file:756760-16-4.mol

Synonyms:756760-16-4;1,3,5-TRIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID;1,3,5-TRIMETHYLPYRROLE-2-CARBOXYLIC ACID;SCHEMBL9955427;DTXSID60604649;AT34111;DB-354168

Suppliers and Price of 1,3,5-Trimethyl-1H-pyrrole-2-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
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price

Total 1 raw suppliers

Chemical Property of 1,3,5-Trimethyl-1H-pyrrole-2-carboxylic acid

Chemical Property:

Boiling Point:299.0±35.0 °C(Predicted)
PKA:5.48±0.50(Predicted)
PSA：42.23000
Density:1.13
LogP:1.34010
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:153.078978594
Heavy Atom Count:11
Complexity:170

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(N1C)C(=O)O)C

Technology Process of 1,3,5-Trimethyl-1H-pyrrole-2-carboxylic acid

There total 3 articles about 1,3,5-Trimethyl-1H-pyrrole-2-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: 61.0%

: 55770-79-1
ethyl 1,3,5-trimethylpyrrole-2-carboxylate

: 756760-16-4
1,3,5-trimethyl-1H-pyrrole-2-carboxylic acid

Guidance literature:: With water; sodium hydroxide; In ethanol; at 100 ℃; for 6h;

Reference yield:

: 2199-44-2
3,5-dimethyl-2-ethoxycarbonyl-1H-pyrrole

: 756760-16-4
1,3,5-trimethyl-1H-pyrrole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium hydroxide / dimethyl sulfoxide / 0.5 h / 0 °C / Inert atmosphere

1.2: 4 h / 20 °C

2.1: sodium hydroxide; water / ethanol / 6 h / 100 °C

With water; potassium hydroxide; sodium hydroxide; In ethanol; dimethyl sulfoxide;