3,4,5-trimethyl-1H-pyrrole-2-carboxylic Acid

Base Information

• Chemical Name: 3,4,5-trimethyl-1H-pyrrole-2-carboxylic Acid
• CAS No.: 17106-08-0
• Molecular Formula: C₈H₁₁NO₂
• Molecular Weight: 153.181
• Hs Code.: 2933990090
• European Community (EC) Number: 822-683-1
• DSSTox Substance ID: DTXSID00446328
• Nikkaji Number: J780.097E
• Wikidata: Q82264947
• Mol file: 17106-08-0.mol

Synonyms:3,4,5-trimethyl-1H-pyrrole-2-carboxylic Acid;17106-08-0;1H-Pyrrole-2-carboxylicacid,3,4,5-trimethyl-(9CI);SCHEMBL3156800;DTXSID00446328;AKOS004120743;SB63003;CS-0288508;3,4,5-trimethyl-1H-pyrrole-2-carboxylicAcid;EN300-76399;Z1172170432

Chemical Property of 3,4,5-trimethyl-1H-pyrrole-2-carboxylic Acid

Chemical Property:

• PSA: 53.09000
• LogP: 1.63810
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.078978594
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

3,4,5-Trimethyl-1H-pyrrole-2-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(NC(=C1C)C(=O)O)C

Technology Process of 3,4,5-trimethyl-1H-pyrrole-2-carboxylic Acid

There total 3 articles about 3,4,5-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:

2-((benzyloxy)carbonyl)-3,4,5-trimethylpyrrole (4424-76-4) → 3,4,5-trimethyl-2-pyrrolecarboxylic acid (17106-08-0)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1016/S0040-4020(01)87058-7

Reference yield:

2-(ethoxycarbonyl)-3,4,5-trimethylpyrrole (2199-46-4) → 3,4,5-trimethyl-2-pyrrolecarboxylic acid (17106-08-0)

Guidance literature:

With sodium hydroxide;

Reference yield:

→ 3,4,5-trimethyl-2-pyrrolecarboxylic acid (17106-08-0)

Guidance literature:

Benzylester 3i, H2 an Pd/C (S.1946ii, 1947ii);

upstream raw materials:

2-(ethoxycarbonyl)-3,4,5-trimethylpyrrole

2-((benzyloxy)carbonyl)-3,4,5-trimethylpyrrole

Downstream raw materials:

3,4,5-trimethyl-1H-pyrrole-2-carbaldehyde

3,13-diethyl-1,2,7,8,12,17,18,19-octamethyl-10,23-dihydrobilin dihydrobromide

2,13-diethyl-1,3,7,8,12,17,18,19-octamethyl-10,23-dihydrobilin dihydrobromide

benzyl 8-ethyl-2,7,12,13,14-pentamethyl-5,16-dihydrotripyrrin-1-carboxylate