Phosphonic acid, [[4-(3-amino-2-cyano-3-oxo-1-propenyl)phenyl]hydroxymethyl]-, bis(1,1-dimethylethyl) ester

Base Information

Chemical Name:Phosphonic acid, [[4-(3-amino-2-cyano-3-oxo-1-propenyl)phenyl]hydroxymethyl]-, bis(1,1-dimethylethyl) ester
CAS No.:132541-53-8
Molecular Formula:C₁₉H₂₇N₂O₅P
Molecular Weight:394.408
Hs Code.:
DSSTox Substance ID:DTXSID801109714

Synonyms:DTXSID801109714;NCI60_012694;132541-53-8;Phosphonic acid, [[4-(3-amino-2-cyano-3-oxo-1-propenyl)phenyl]hydroxymethyl]-, bis(1,1-dimethylethyl) ester

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Supply Marketing:

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

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Chemical Property of Phosphonic acid, [[4-(3-amino-2-cyano-3-oxo-1-propenyl)phenyl]hydroxymethyl]-, bis(1,1-dimethylethyl) ester

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:394.16575896
Heavy Atom Count:27
Complexity:638

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OP(=O)(C(C1=CC=C(C=C1)C=C(C#N)C(=O)N)O)OC(C)(C)C

Technology Process of Phosphonic acid, [[4-(3-amino-2-cyano-3-oxo-1-propenyl)phenyl]hydroxymethyl]-, bis(1,1-dimethylethyl) ester

There total 2 articles about Phosphonic acid, [[4-(3-amino-2-cyano-3-oxo-1-propenyl)phenyl]hydroxymethyl]-, bis(1,1-dimethylethyl) ester 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: 55.0%

: 132541-46-9
bis(1,1-dimethylethyl) <(4-formylphenyl)hydroxymethyl>phosphonate

: 107-91-5
cyanoacetic acid amide

: 132541-53-8
{[4-((E)-2-Carbamoyl-2-cyano-vinyl)-phenyl]-hydroxy-methyl}-phosphonic acid di-tert-butyl ester

Guidance literature:: With piperidine; In toluene; Ambient temperature;
DOI:10.1021/jm00109a008

Reference yield:

: 13086-84-5
di-tert-butyl phosphite

: 132541-53-8
{[4-((E)-2-Carbamoyl-2-cyano-vinyl)-phenyl]-hydroxy-methyl}-phosphonic acid di-tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 83 percent / basic alumina oxide / Ambient temperature

2: 100 percent / aq. HCl / CHCl₃ / 0.33 h / Ambient temperature

3: 55 percent / piperidine / toluene / Ambient temperature

With piperidine; hydrogenchloride; aluminum oxide; In chloroform; toluene;
DOI:10.1021/jm00109a008