CID 13487060

Base Information

Chemical Name:CID 13487060
CAS No.:96327-52-5
Molecular Formula:C₁₆H₁₂F₃NO₃
Molecular Weight:323.271
Hs Code.:
ChEMBL ID:CHEMBL9359
DSSTox Substance ID:DTXSID101025171
Nikkaji Number:J1.543.738C

Synonyms:CHEMBL9359;96327-52-5;DTXSID101025171;5-[4-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Suppliers and Price of CID 13487060

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of CID 13487060

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:323.07692773
Heavy Atom Count:23
Complexity:486

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN2C(=CC=C2C(=O)C3=CC=C(C=C3)C(F)(F)F)C1C(=O)O

Technology Process of CID 13487060

There total 3 articles about CID 13487060 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: 80.0%

: 96327-12-7
5-(4-Trifluoromethyl-benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester

: 96327-52-5
5-(4-Trifluoromethyl-benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Guidance literature:: With potassium carbonate; In methanol; water; for 0.5h; Heating;
DOI:10.1021/jm00146a011

Reference yield:

: 329-15-7
4-trifluoromethyl-phenyl acetyl chloride

: 96327-52-5
5-(4-Trifluoromethyl-benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / xylene / 1 h / Heating

2: 80 percent / K₂CO₃ / methanol; H₂O / 0.5 h / Heating

With potassium carbonate; In methanol; water; xylene;
DOI:10.1021/jm00146a011

Reference yield:

: 76786-65-7
methyl 2,3-dihydro-1H-pyrrolo[1,2-a]-pyrrole-1-carboxylate

: 96327-52-5
5-(4-Trifluoromethyl-benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / xylene / 1 h / Heating

2: 80 percent / K₂CO₃ / methanol; H₂O / 0.5 h / Heating

With potassium carbonate; In methanol; water; xylene;
DOI:10.1021/jm00146a011