(3R)-3-benzyl-3-chloro-1H-quinoline-2,4-dione

Base Information

Chemical Name:(3R)-3-benzyl-3-chloro-1H-quinoline-2,4-dione
CAS No.:58013-72-2
Molecular Formula:C16H12ClNO2
Molecular Weight:285.73
Hs Code.:
DSSTox Substance ID:DTXSID20361266
Wikidata:Q82143530
Mol file:58013-72-2.mol

Synonyms:(3R)-3-benzyl-3-chloro-1H-quinoline-2,4-dione;58013-72-2;DTXSID20361266

Suppliers and Price of (3R)-3-benzyl-3-chloro-1H-quinoline-2,4-dione

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (3R)-3-benzyl-3-chloro-1H-quinoline-2,4-dione

Chemical Property:

Vapor Pressure:9.45E-10mmHg at 25°C
Boiling Point:490.1°C at 760 mmHg
Flash Point:250.2°C
PSA：49.66000
Density:1.35g/cm³
LogP:3.12680
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:285.0556563
Heavy Atom Count:20
Complexity:405

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC2(C(=O)C3=CC=CC=C3NC2=O)Cl
Isomeric SMILES:C1=CC=C(C=C1)C[C@]2(C(=O)C3=CC=CC=C3NC2=O)Cl

Technology Process of (3R)-3-benzyl-3-chloro-1H-quinoline-2,4-dione

There total 3 articles about (3R)-3-benzyl-3-chloro-1H-quinoline-2,4-dione 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: 97.0%

: 15000-41-6
3-benzyl-4-hydroxy-2-quinolone

: 58013-72-2
3-benzyl-3-chloroquinoline-2,4(1H,3H)-dione

Guidance literature:: With sulfuryl dichloride; In 1,4-dioxane; at 40 - 60 ℃; for 0.166667h;
DOI:10.1007/BF00816857

Reference yield:

: 144603-93-0
3-azido-3-benzylquinoline-2,4(1H,3H)-dione

: 58013-72-2
3-benzyl-3-chloroquinoline-2,4(1H,3H)-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / triphenylphosphine / CH₂Cl₂ / 20 °C

2: 92 percent / sulfuryl chloride / dioxane / 0.17 h / 50 - 55 °C

With sulfuryl dichloride; triphenylphosphine; In 1,4-dioxane; dichloromethane;
DOI:10.3987/com-02-9522