methyl (2E)-1,3,3-trimethyl-2-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]indole-6-carboxylate

Base Information

Chemical Name:methyl (2E)-1,3,3-trimethyl-2-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]indole-6-carboxylate
CAS No.:5718-26-3
Molecular Formula:C25H25N3O3
Molecular Weight:415.492
Hs Code.:
Mol file:5718-26-3.mol

Synonyms:methyl (2E)-1,3,3-trimethyl-2-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]indole-6-carboxylate;EINECS 227-217-5

Suppliers and Price of methyl (2E)-1,3,3-trimethyl-2-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]indole-6-carboxylate

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 16 raw suppliers

Chemical Property of methyl (2E)-1,3,3-trimethyl-2-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]indole-6-carboxylate

Chemical Property:

Vapor Pressure:1.71E-11mmHg at 25°C
Refractive Index:1.611
Boiling Point:511.5 °C at 760 mmHg
PKA:-0.36±0.40(Predicted)
Flash Point:263.1 °C
PSA：62.21000
Density:1.628 g/cm³
LogP:3.99920
Water Solubility.:440μg/L at 20℃
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:415.18959167
Heavy Atom Count:31
Complexity:835

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C(=O)C1=CC=C2C(C3=C(N2C)C=C(C=C3)C(=O)OC)(C)C)C4=CC=CC=C4
Isomeric SMILES:CC\1=NN(C(=O)/C1=C\C=C\2/C(C3=C(N2C)C=C(C=C3)C(=O)OC)(C)C)C4=CC=CC=C4

Technology Process of methyl (2E)-1,3,3-trimethyl-2-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]indole-6-carboxylate

There total 4 articles about methyl (2E)-1,3,3-trimethyl-2-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]indole-6-carboxylate 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: 87.4%

: 17364-41-9
4-formyl-3-methyl-1-phenylpyrazol-5-one

: 6872-10-2
1,3,3-trimethyl-2-methylene-2,3-dihydro-indole-5-carboxylic acid methyl ester

: 5718-26-3
1,3,3-trimethyl-2-[2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-ylidene)-ethylidene]-2,3-dihydro-indole-5-carboxylic acid methyl ester

Guidance literature:: With toluene-4-sulfonic acid; Reagent/catalyst; Reflux;

Reference yield:

: methyl 2,3,3-trimethyl-3H-indole-5-carboxylate

: 5718-26-3
1,3,3-trimethyl-2-[2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-ylidene)-ethylidene]-2,3-dihydro-indole-5-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: magnesium oxide / Reflux

2: toluene-4-sulfonic acid / Reflux

With magnesium oxide; toluene-4-sulfonic acid;

Reference yield:

: 563-80-4
3-methyl-butan-2-one

: 5718-26-3
1,3,3-trimethyl-2-[2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-ylidene)-ethylidene]-2,3-dihydro-indole-5-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: sulfuric acid / Reflux

2: magnesium oxide / Reflux

3: toluene-4-sulfonic acid / Reflux

With sulfuric acid; magnesium oxide; toluene-4-sulfonic acid;