N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-alanyl-pyroglutamic acid

Base Information

Chemical Name:N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-alanyl-pyroglutamic acid
CAS No.:90940-59-3
Molecular Formula:C20H26 N2 O6 . Cl H
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID90920046
Mol file:90940-59-3.mol

Synonyms:1-ECPPAP;N-(1-(ethoxycarbonyl)-3-phenylpropyl)-alanyl-pyroglutamic acid;N-(1-(ethoxycarbonyl)-3-phenylpropyl)-alanyl-pyroglutamic acid, hydrochloride (S,R,S)-isomer;N-(1-(ethoxycarbonyl)-3-phenylpropyl)-alanyl-pyroglutamic acid, trifluoroacetate, (S,R,S)-isomer;N-(1-(ethoxycarbonyl)-3-phenylpropyl)-alanyl-pyroglutamic acid, trifluoroacetate, (S,S,S)-isomer

Suppliers and Price of N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-alanyl-pyroglutamic acid

Supply Marketing:

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

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Chemical Property of N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-alanyl-pyroglutamic acid

Chemical Property:

Vapor Pressure:2.94E-15mmHg at 25°C
Boiling Point:600.3°Cat760mmHg
Flash Point:316.8°C
PSA：113.01000
Density:1.263g/cm³
LogP:2.26200
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:390.17908655
Heavy Atom Count:28
Complexity:587

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCC2=O)C(=O)O
Isomeric SMILES:CCOC(=O)C(CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H](CCC2=O)C(=O)O

Technology Process of N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-alanyl-pyroglutamic acid

There total 10 articles about N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-alanyl-pyroglutamic 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:

: 90891-25-1
-(S)-alanyl>-(S)-pyroglutamic acid benzyl ester

: 90940-59-3
-(S)-alanyl>-(S)-pyroglutamic acid hydrochloride

Guidance literature:: With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; at 25 ℃; for 2h;
DOI:10.1021/jm00149a009

Reference yield:

: 98049-19-5
-(S)-alanyl>-(S)-pyroglutamic acid tert-butyl ester

: 90940-59-3
-(S)-alanyl>-(S)-pyroglutamic acid hydrochloride

Guidance literature:: With hydrogenchloride; In dichloromethane; at 0 ℃;
DOI:10.1021/jm00389a006

Reference yield:

: 943-73-7
D-homophenylalanine

: 90940-59-3
-(S)-alanyl>-(S)-pyroglutamic acid hydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1: 100 percent / HCl / 2 h / Heating

2: NaOH, H₂ / 5percent Pd/C / ethanol / 25 °C / 2172.02 - 4654.3 Torr

3: DCC / 1,2-dimethoxy-ethane; CHCl₃ / 25 °C

4: 1.) NaH / 1.) toluene, 25 deg C, 30 min, 2.) toluene, 25 deg C, overnight

5: HCl, H₂ / 5percent Pd/C / ethanol / 2 h / 25 °C

With hydrogenchloride; sodium hydroxide; hydrogen; sodium hydride; dicyclohexyl-carbodiimide; palladium on activated charcoal; In 1,2-dimethoxyethane; ethanol; chloroform;
DOI:10.1021/jm00149a009