1-Ethyl 4-[(1H-indol-3-ylphosphonomethyl)amino]benzoate

Base Information

Chemical Name:1-Ethyl 4-[(1H-indol-3-ylphosphonomethyl)amino]benzoate
CAS No.:479622-61-2
Molecular Formula:C₁₈H₁₉N₂O₅P
Molecular Weight:374.333
Hs Code.:
DSSTox Substance ID:DTXSID101206975

Synonyms:1-Ethyl 4-[(1H-indol-3-ylphosphonomethyl)amino]benzoate;DTXSID101206975;479622-61-2

Suppliers and Price of 1-Ethyl 4-[(1H-indol-3-ylphosphonomethyl)amino]benzoate

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

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Chemical Property of 1-Ethyl 4-[(1H-indol-3-ylphosphonomethyl)amino]benzoate

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:374.10315871
Heavy Atom Count:26
Complexity:532

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)NC(C2=CNC3=CC=CC=C32)P(=O)(O)O

Technology Process of 1-Ethyl 4-[(1H-indol-3-ylphosphonomethyl)amino]benzoate

There total 4 articles about 1-Ethyl 4-[(1H-indol-3-ylphosphonomethyl)amino]benzoate 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: 93.0%

: 479622-59-8
bis(trimethylsilyl) 3-indolyl(p-ethoxycarbonylphenylamino)methylphosphonate

: 479622-61-2
3-indolyl(p-ethoxycarbonylphenylamino)methylphosphonic acid

Guidance literature:: In methanol; at 60 - 70 ℃; for 6h;
DOI:10.1023/A:1019671324617

Reference yield:

: 487-89-8,1228547-52-1
Indole-3-carboxaldehyde

: 479622-61-2
3-indolyl(p-ethoxycarbonylphenylamino)methylphosphonic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 65 percent / 2 h / 90 - 100 °C

2: 59 percent / benzene / 5 h / 70 - 80 °C

3: 93 percent / methanol / 6 h / 60 - 70 °C

In methanol; benzene;
DOI:10.1023/A:1019671324617

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 479622-61-2
3-indolyl(p-ethoxycarbonylphenylamino)methylphosphonic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 65 percent / 2 h / 90 - 100 °C

2: 59 percent / benzene / 5 h / 70 - 80 °C

3: 93 percent / methanol / 6 h / 60 - 70 °C

In methanol; benzene;
DOI:10.1023/A:1019671324617