1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((2-oxo-1-phenyl-3-pyrrolidinylidene)methyl)-, (E)-

Base Information

Chemical Name:1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((2-oxo-1-phenyl-3-pyrrolidinylidene)methyl)-, (E)-
CAS No.:166974-22-7
Molecular Formula:C20H14 Cl2 N2 O3
Molecular Weight:401.249
Hs Code.:
UNII:49M4Q410FD
Nikkaji Number:J1.322.331I
ChEMBL ID:CHEMBL295135
Mol file:166974-22-7.mol

Synonyms:166974-22-7;GV-196771;1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((2-oxo-1-phenyl-3-pyrrolidinylidene)methyl)-, (E)-;UNII-49M4Q410FD;1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((E)-(2-oxo-1-phenyl-3-pyrrolidinylidene)methyl)-;GW-196771;CHEMBL295135;49M4Q410FD;(E)-4,6-Dichloro-3-((2-oxo-1-phenylpyrrolidin-3-ylidene)methyl)-1H-indole-2-carboxylic acid;SCHEMBL499308;gv196771;VDIRQCDDCGAGET-DHZHZOJOSA-N;BDBM50215735;4,6-dichloro-3-[(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl]-1H-indole-2-carboxylic acid;(E)-4,6-Dichloro-3-((2-oxo-1-phenylpyrrolidin-3-ylidene)methyl)-1H-indole-2-carboxylicacid

Suppliers and Price of 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((2-oxo-1-phenyl-3-pyrrolidinylidene)methyl)-, (E)-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 2 raw suppliers

Chemical Property of 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((2-oxo-1-phenyl-3-pyrrolidinylidene)methyl)-, (E)-

Chemical Property:

Vapor Pressure:3.39E-13mmHg at 25°C
Refractive Index:1.756
Boiling Point:556°C at 760 mmHg
PKA:3.65±0.30(Predicted)
Flash Point:290°C
PSA：73.40000
Density:1.599g/cm³
LogP:5.05820
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:400.0381477
Heavy Atom Count:27
Complexity:635

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(C(=O)C1=CC2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)C4=CC=CC=C4
Isomeric SMILES:C\1CN(C(=O)/C1=C/C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)C4=CC=CC=C4

Technology Process of 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((2-oxo-1-phenyl-3-pyrrolidinylidene)methyl)-, (E)-

There total 6 articles about 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((2-oxo-1-phenyl-3-pyrrolidinylidene)methyl)-, (E)- 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: 83.0%

: 166974-21-6
Methyl (E)4.6-dichloro3-(2-oxo-1-phenyl-pyrrolidin-3-ylidenemethyl)-1H-indole-2-carboxylate

: 166974-22-7
4,6-dichloro-3-[(E)-(2-oxo-1-phenyl-3-pyrrolidinylidene)methyl]-1H-indole-2-carboxylic acid

Guidance literature:: With lithium hydroxide; In ethanol; for 1.5h; Heating;
DOI:10.1016/S0960-894X(98)00284-4

Reference yield:

: 4641-57-0
1-phenylpyrrolidin-2-one

: 166974-22-7
4,6-dichloro-3-[(E)-(2-oxo-1-phenyl-3-pyrrolidinylidene)methyl]-1H-indole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) t-BuLi / 2.) THF, from -78 deg C to 20 deg C, 3 h

2: (Me₃Si)CHN₂ / CH₂Cl₂ / 0.67 h / Ambient temperature

3: 60 percent / 6N aq.HCl / ethanol / 10 h / Heating

4: 83 percent / LiOH / ethanol / 1.5 h / Heating

With hydrogenchloride; lithium hydroxide; tert.-butyl lithium; diazomethyl-trimethyl-silane; In ethanol; dichloromethane;
DOI:10.1016/S0960-894X(98)00284-4

Reference yield:

: 153435-96-2
ethyl-3-formyl-4,6-dichloro-indole-2-carboxylate

: 166974-22-7
4,6-dichloro-3-[(E)-(2-oxo-1-phenyl-3-pyrrolidinylidene)methyl]-1H-indole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 5 steps

1: NaH / dimethylformamide / 0 °C

2: 1.) t-BuLi / 2.) THF, from -78 deg C to 20 deg C, 3 h

3: (Me₃Si)CHN₂ / CH₂Cl₂ / 0.67 h / Ambient temperature

4: 60 percent / 6N aq.HCl / ethanol / 10 h / Heating

5: 83 percent / LiOH / ethanol / 1.5 h / Heating

With hydrogenchloride; lithium hydroxide; tert.-butyl lithium; sodium hydride; diazomethyl-trimethyl-silane; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(98)00284-4