3-[[(2S)-1-[(2-aminoacetyl)amino]-4-methyl-1-oxopentan-2-yl]amino]prop-1-en-2-ylphosphonic acid

Base Information

Chemical Name:3-[[(2S)-1-[(2-aminoacetyl)amino]-4-methyl-1-oxopentan-2-yl]amino]prop-1-en-2-ylphosphonic acid
CAS No.:116198-48-2
Molecular Formula:C₁₁H₂₂N₃O₅P
Molecular Weight:307.287
Hs Code.:
DSSTox Substance ID:DTXSID30151312
Mol file:116198-48-2.mol

Synonyms:A 53868A;A-53868 A;A53868A

Suppliers and Price of 3-[[(2S)-1-[(2-aminoacetyl)amino]-4-methyl-1-oxopentan-2-yl]amino]prop-1-en-2-ylphosphonic acid

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
Packaging
price

Total 0 raw suppliers

Chemical Property of 3-[[(2S)-1-[(2-aminoacetyl)amino]-4-methyl-1-oxopentan-2-yl]amino]prop-1-en-2-ylphosphonic acid

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：155.05000
Density:1.277g/cm³
LogP:1.21510
XLogP3:-4.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:307.12970781
Heavy Atom Count:20
Complexity:418

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(C(=O)NC(=O)CN)NCC(=C)P(=O)(O)O
Isomeric SMILES:CC(C)C[C@@H](C(=O)NC(=O)CN)NCC(=C)P(=O)(O)O

Technology Process of 3-[[(2S)-1-[(2-aminoacetyl)amino]-4-methyl-1-oxopentan-2-yl]amino]prop-1-en-2-ylphosphonic acid

There total 4 articles about 3-[[(2S)-1-[(2-aminoacetyl)amino]-4-methyl-1-oxopentan-2-yl]amino]prop-1-en-2-ylphosphonic acid 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%

: dimethyl {1-[N-(9-fluorenylmethoxycarbonyl)glycyl-L-leucylamido]ethen-1-yl}phosphonate

: 116198-48-2
A53868

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; In acetone; toluene; for 2h; Reflux;
DOI:10.1002/ejoc.201800689

Reference yield: 60.0%

: 1005496-77-4
N-carboxybenzyl-glycinyl-leucinyl-1-amidoethylene-1-phosphonic acid dimethyl ester

: 116198-48-2
A53868

Guidance literature:: N-carboxybenzyl-glycinyl-leucinyl-1-amidoethylene-1-phosphonic acid dimethyl ester; With triethylsilane; triethylamine; palladium dichloride; In dichloromethane; at 20 ℃; for 2h;

With sodium hydroxide; at 20 ℃; Further stages.;
DOI:10.1002/anie.200703810

Reference yield:

: tetramethyl [N-(9-fluorenylmethoxycarbonyl)glycyl-L-leucylamidomethyl]bis(phosphonate)

: 116198-48-2
A53868

Guidance literature:: Multi-step reaction with 2 steps

1: caesium carbonate; formaldehyd / water; tetrahydrofuran; isopropyl alcohol / 1 h / 20 °C

2: 1,4-diaza-bicyclo[2.2.2]octane / acetone; toluene / 2 h / Reflux

With 1,4-diaza-bicyclo[2.2.2]octane; formaldehyd; caesium carbonate; In tetrahydrofuran; water; isopropyl alcohol; acetone; toluene;
DOI:10.1002/ejoc.201800689