2,3-Dihydro-6-methyl-5-(4-methylbenzoyl)-1H-pyrrolizine-1-carboxylic acid

Base Information

Chemical Name:2,3-Dihydro-6-methyl-5-(4-methylbenzoyl)-1H-pyrrolizine-1-carboxylic acid
CAS No.:66635-95-8
Molecular Formula:C₁₇H₁₇NO₃
Molecular Weight:283.327
Hs Code.:
ChEMBL ID:CHEMBL167275
DSSTox Substance ID:DTXSID101147830

Synonyms:CHEMBL167275;SCHEMBL11042084;TXPKDNHCKLDGPR-UHFFFAOYSA-N;DTXSID101147830;2,3-Dihydro-6-methyl-5-(4-methylbenzoyl)-1H-pyrrolizine-1-carboxylic acid;66635-95-8;5-p-toluoyl-1,2-dihydro-6-methyl-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid

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

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Chemical Property of 2,3-Dihydro-6-methyl-5-(4-methylbenzoyl)-1H-pyrrolizine-1-carboxylic acid

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:283.12084340
Heavy Atom Count:21
Complexity:428

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)C

Technology Process of 2,3-Dihydro-6-methyl-5-(4-methylbenzoyl)-1H-pyrrolizine-1-carboxylic acid

There total 3 articles about 2,3-Dihydro-6-methyl-5-(4-methylbenzoyl)-1H-pyrrolizine-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: 88.0%

: 107115-62-8
isopropyl 5-p-toluoyl-1,2-dihydro-6-methyl-3H-pyrrolo[1,2-a]pyrrole-1-carboxylate

: 66635-95-8
5-p-toluoyl-1,2-dihydro-6-methyl-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid

Guidance literature:: With potassium carbonate; In methanol; water; for 6h; Heating;
DOI:10.1021/jm00388a013

Reference yield:

: 14062-78-3
N,N-dimethyl-4-toluamide

: 66635-95-8
5-p-toluoyl-1,2-dihydro-6-methyl-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) POCl₃ / 1.) 1,2-dichloroethane, reflux, 1 h, 2.) 1,2-dichloroethane, reflux, 5 h

2: 88 percent / K₂CO₃ / methanol; H₂O / 6 h / Heating

With potassium carbonate; trichlorophosphate; In methanol; water;
DOI:10.1021/jm00388a013

Reference yield:

: 68204-67-1
i-propyl 6-methyl-1,2-dihydro-3H-pyrrolo<1,2-a>-1-carboxylate

: 66635-95-8
5-p-toluoyl-1,2-dihydro-6-methyl-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) POCl₃ / 1.) 1,2-dichloroethane, reflux, 1 h, 2.) 1,2-dichloroethane, reflux, 5 h

2: 88 percent / K₂CO₃ / methanol; H₂O / 6 h / Heating

With potassium carbonate; trichlorophosphate; In methanol; water;
DOI:10.1021/jm00388a013