N(alpha)-((2-Phenylethyl)phenoxyphosphoryl)alanylproline

Base Information

Chemical Name:N(alpha)-((2-Phenylethyl)phenoxyphosphoryl)alanylproline
CAS No.:97280-48-3
Molecular Formula:C22H27 N2 O5 P
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID50914022
Mol file:97280-48-3.mol

Synonyms:N(alpha)-((2-phenylethyl)phenoxyphosphoryl)-L-alanyl-L-proline;N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline;PPP-Ala-Pro

Suppliers and Price of N(alpha)-((2-Phenylethyl)phenoxyphosphoryl)alanylproline

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 3 raw suppliers

Chemical Property of N(alpha)-((2-Phenylethyl)phenoxyphosphoryl)alanylproline

Chemical Property:

Vapor Pressure:5.25E-17mmHg at 25°C
Melting Point:124 - 130 °C
Boiling Point:635.2°Cat760mmHg
Flash Point:337.9°C
PSA：105.75000
Density:1.283g/cm³
LogP:3.88370
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:430.16575896
Heavy Atom Count:30
Complexity:631

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(=O)N1CCCC1C(=O)O)NP(=O)(CCC2=CC=CC=C2)OC3=CC=CC=C3
Isomeric SMILES:C[C@H](C(=O)N1CCC[C@H]1C(=O)O)NP(=O)(CCC2=CC=CC=C2)OC3=CC=CC=C3

Technology Process of N(alpha)-((2-Phenylethyl)phenoxyphosphoryl)alanylproline

There total 6 articles about N(alpha)-((2-Phenylethyl)phenoxyphosphoryl)alanylproline 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: 56.0%

: 97280-47-2
N^α-<(2-phenylethyl)phenoxyphosphoryl>-L-alanyl-L-proline benzyl ester

: 97280-48-3
N^α-[(2-phenylethyl)phenoxyphosphoryl]-L-alanyl-L-proline

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; for 1h;
DOI:10.1021/jm00148a008

Reference yield:

: 55004-22-3
2-phenylethyl phosphorodichloridate

: 97280-48-3
N^α-[(2-phenylethyl)phenoxyphosphoryl]-L-alanyl-L-proline

Guidance literature:: Multi-step reaction with 5 steps

1: 90 percent / N-ethylmorpholine / tetrahydrofuran / 1.) RT, 2 h, 2.) 50 deg C, 2 h

2: 93 percent / 2N aq. KOH / tetrahydrofuran / 1.5 h / Heating

3: 100 percent / thionyl chloride / Ambient temperature

4: 65 percent / N-ethylmorpholine / CH₂Cl₂ / 20 h / 4 °C

5: 56 percent / H₂ / 5percent Pd/C / ethanol / 1 h

With N-ethylmorpholine;; potassium hydroxide; thionyl chloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1021/jm00148a008

Reference yield:

: 4672-30-4
(2-phenylethyl)phosphonic acid

: 97280-48-3
N^α-[(2-phenylethyl)phenoxyphosphoryl]-L-alanyl-L-proline

Guidance literature:: Multi-step reaction with 6 steps

1: 100 percent / PCl₅ / CHCl₃ / 1.) 0 deg C, 30 min, 2.) RT, 2 h

2: 90 percent / N-ethylmorpholine / tetrahydrofuran / 1.) RT, 2 h, 2.) 50 deg C, 2 h

3: 93 percent / 2N aq. KOH / tetrahydrofuran / 1.5 h / Heating

4: 100 percent / thionyl chloride / Ambient temperature

5: 65 percent / N-ethylmorpholine / CH₂Cl₂ / 20 h / 4 °C

6: 56 percent / H₂ / 5percent Pd/C / ethanol / 1 h

With N-ethylmorpholine;; potassium hydroxide; thionyl chloride; phosphorus pentachloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; chloroform;
DOI:10.1021/jm00148a008