(S)-2-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-3-(4-hydroxy-phenyl)-propionic acid ethyl ester

Base Information

Chemical Name:(S)-2-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-3-(4-hydroxy-phenyl)-propionic acid ethyl ester
CAS No.:3392-15-2
Molecular Formula:C28H30N2O6
Molecular Weight:490.556
Hs Code.:
DSSTox Substance ID:DTXSID701169498
Nikkaji Number:J1.285.568K
ChEMBL ID:CHEMBL32468

Synonyms:CHEMBL32468;SCHEMBL4007938;DTXSID701169498;BDBM50100045;benzyloxy-carbonyl-l-phenylalanyl-l-tyrosine ethyl ester;N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-tyrosine ethyl ester;(S)-2-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-3-(4-hydroxy-phenyl)-propionic acid ethyl ester;3392-15-2

Suppliers and Price of (S)-2-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-3-(4-hydroxy-phenyl)-propionic acid ethyl ester

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
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price

Total 1 raw suppliers

Chemical Property of (S)-2-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-3-(4-hydroxy-phenyl)-propionic acid ethyl ester

Chemical Property:

PSA：113.96000
LogP:4.30210
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:490.21038668
Heavy Atom Count:36
Complexity:682

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Isomeric SMILES:CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Technology Process of (S)-2-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-3-(4-hydroxy-phenyl)-propionic acid ethyl ester

There total 6 articles about (S)-2-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-3-(4-hydroxy-phenyl)-propionic acid ethyl 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: 97.0%

: 4089-07-0
L-tyrosine ethyl ester monohydrochloride

: 3588-57-6
Z-DL-Phe-OH

: 3392-15-2
N-benzyloxycarbonyl-L-phenylalanyl-L-tyrosine ethyl ester

Guidance literature:: With 4-methyl-morpholine; DMT*brucine tetrafluoroborate; brucine; In acetonitrile; at 0 - 20 ℃; optical yield given as %ee; enantioselective reaction;
DOI:10.1021/ol802691x

Reference yield: 90.0%

: 1161-13-3
N-Cbz-L-Phe

: 949-67-7
L-tyrosine ethyl ester

: 3392-15-2
N-benzyloxycarbonyl-L-phenylalanyl-L-tyrosine ethyl ester

Guidance literature:: With Celite; water; thermolysin; In toluene; at 30 ℃; for 144h;
DOI:10.1039/b000797h

Reference yield: 86.0%

: 1161-13-3
N-Cbz-L-Phe

: 4089-07-0
L-tyrosine ethyl ester monohydrochloride

: 3392-15-2
N-benzyloxycarbonyl-L-phenylalanyl-L-tyrosine ethyl ester

Guidance literature:: With P(p-CH₃OC₆H₄)3; 6-(3,5-bis(trifluoromethyl)phenyl)-1H,4H-2aλ³-ioda-2,3-dioxacyclopenta[hi]indene-1,4-dione; triethylamine; In 1,2-dichloro-ethane; at 20 ℃; for 0.166667h; Reagent/catalyst;
DOI:10.1021/acs.orglett.5b02045