Indolizine-1-carboxylic acid

Base Information

• Chemical Name: Indolizine-1-carboxylic acid
• CAS No.: 90347-97-0
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.16
• Hs Code.: 2933990090
• European Community (EC) Number: 819-986-6
• Mol file: 90347-97-0.mol

Synonyms:Indolizine-1-carboxylic acid;90347-97-0;MFCD13178388;carboxyindolizine;Indolizine-1-carboxylicacid;SCHEMBL1490768;KAGOEWVNTGUFGW-UHFFFAOYSA-N;AKOS023410730;SB39753;AS-83395;SY198993;FT-0749709;E84973;EN300-209024;Z1255495002

Chemical Property of Indolizine-1-carboxylic acid

Chemical Property:

• PKA: 2.42±0.41(Predicted)
• PSA: 41.71000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: 1.63750
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

indolizine-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN2C=C1)C(=O)O

Technology Process of Indolizine-1-carboxylic acid

There total 1 articles about Indolizine-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: 39.0%

methyl indolizine-1-carboxylate (316375-85-6) → indolizine-1-carboxylic acid (90347-97-0)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 10h;

Reference yield: 61.0%

indolizine-1-carboxylic acid (90347-97-0) + 4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamine (21103-33-3) → N-4-(4-(2-methoxyphenyl)-piperazin-1-yl)-butylindolizin-1-ylcarbamide

Guidance literature:

indolizine-1-carboxylic acid; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 0.5h;

4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamine; In dichloromethane; N,N-dimethyl-formamide; at 0 ℃; for 1h;

Reference yield:

indolizine-1-carboxylic acid (90347-97-0) + 4-benzyloxy-N-methylaniline hydrochloride → N-(4-benzyloxyphenyl)-N-methyl-indolizine-1-carboxamide

Guidance literature:

indolizine-1-carboxylic acid; With 1-chloro-1-(dimethylamino)-2-methyl-1-propene; In tetrahydrofuran; dichloromethane; at 20 ℃; for 0.166667h;

4-benzyloxy-N-methylaniline hydrochloride; With triethylamine; In dichloromethane; at 20 ℃; for 16h;

upstream raw materials:

methyl indolizine-1-carboxylate

Downstream raw materials:

3-phenylpropyl indolizine-1-carboxylate

ethyl 5-(1-(tert-butylcarbamoyl)indolizin-3-yl)-1-(cyclohexylmethyl)-2-methyl-1H-pyrrole-3-carboxylate

5-(1-(tert-butylcarbamoyl)indolizin-3-yl)-1-(cyclohexylmethyl)-2-methyl-1H-pyrrole-3-carboxylic acid

N-tert-butyl-3-(1-(cyclohexylmethyl)-5-methyl-4-(tetrahydro-2H-pyran-4-ylcarbamoyl)-1H-pyrrol-2-yl)indolizine-1-carboxamide