CID 13780972

Base Information

Chemical Name:CID 13780972
CAS No.:107115-74-2
Molecular Formula:C₁₆H₁₄FNO₃
Molecular Weight:287.29
Hs Code.:
ChEMBL ID:CHEMBL352995
DSSTox Substance ID:DTXSID701025248
Nikkaji Number:J1.555.843A

Synonyms:107115-74-2;CHEMBL352995;SCHEMBL11604367;DTXSID701025248;5-(4-fluorobenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Suppliers and Price of CID 13780972

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 13780972

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:287.09577147
Heavy Atom Count:21
Complexity:433

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)F

Technology Process of CID 13780972

There total 4 articles about CID 13780972 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: 75.0%

: 66635-94-7
5-(4-Fluoro-benzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid isopropyl ester

: 107115-74-2
5-p-fluorobenzoyl-1,2-dihydro-6-methyl-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid

Guidance literature:: With potassium carbonate; In methanol; water; for 3h; Heating;
DOI:10.1021/jm00388a013

Reference yield:

: 24167-56-4
N,N-dimethyl-4-fluorobenzamide

: 107115-74-2
5-p-fluorobenzoyl-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, 15 h

2: 75 percent / K₂CO₃ / methanol; H₂O / 3 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

: 107115-74-2
5-p-fluorobenzoyl-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, 15 h

2: 75 percent / K₂CO₃ / methanol; H₂O / 3 h / Heating

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