CID 13487069

Base Information

Chemical Name:CID 13487069
CAS No.:96327-61-6
Molecular Formula:C₂₁H₁₇NO₃
Molecular Weight:331.371
Hs Code.:
ChEMBL ID:CHEMBL8891
DSSTox Substance ID:DTXSID901025175
Nikkaji Number:J1.543.782K

Synonyms:CHEMBL8891;96327-61-6;DTXSID901025175;5-(4-phenylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Suppliers and Price of CID 13487069

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 13487069

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:331.12084340
Heavy Atom Count:25
Complexity:505

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN2C(=CC=C2C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C1C(=O)O

Technology Process of CID 13487069

There total 3 articles about CID 13487069 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: 64.0%

: 96327-20-7
5-(Biphenyl-4-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid isopropyl ester

: 96327-61-6
5-(Biphenyl-4-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Guidance literature:: With potassium carbonate; In methanol; water; for 0.25h; Heating;
DOI:10.1021/jm00146a011

Reference yield:

: 33322-67-7
N, N-dimethyl [1,1’-biphenyl]-4-carboxamide

: 96327-61-6
5-(Biphenyl-4-carbonyl)-2,3-dihydro-1H-pyrrolizine-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, 20 h

2: 64 percent / K₂CO₃ / methanol; H₂O / 0.25 h / Heating

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

Reference yield:

: 66635-71-0
i-propyl 1,2-dihydro-3H-pyrrolo<1,2-a>pyrrole-1-carboxylate

: 96327-61-6
5-(Biphenyl-4-carbonyl)-2,3-dihydro-1H-pyrrolizine-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, 20 h

2: 64 percent / K₂CO₃ / methanol; H₂O / 0.25 h / Heating

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