methyl (2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

Base Information

Chemical Name:methyl (2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CAS No.:23828-09-3
Molecular Formula:C21H24N2O6
Molecular Weight:400.431
Hs Code.:
DSSTox Substance ID:DTXSID90427742
Nikkaji Number:J751.816A
Wikidata:Q82240426
Mol file:23828-09-3.mol

Synonyms:Z-PHE-SER-OME;23828-09-3;AC1OEBWL;methyl (2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate;SCHEMBL8053250;DTXSID90427742;Z1669852203;(S)-methyl 2-((S)-2-(benzyloxycarbonylamino)-3-phenylpropanamido)-3-hydroxypropanoate

Suppliers and Price of methyl (2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

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 6 raw suppliers

Chemical Property of methyl (2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

Chemical Property:

Melting Point:125 °C
Boiling Point:667.9±55.0 °C(Predicted)
PKA:11.06±0.46(Predicted)
PSA：113.96000
Density:1.257±0.06 g/cm3(Predicted)
LogP:1.95600
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:400.16343649
Heavy Atom Count:29
Complexity:529

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(CO)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
Isomeric SMILES:COC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Technology Process of methyl (2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

There total 7 articles about methyl (2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate 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: 98.0%

: 5680-80-8
methyl (2S)-2-amino-3-hydroxypropanoate hydrochloride

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

: 23828-09-3
N-(benzyloxycarbonyl)-L-phenylalanyl-L-serine methyl 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: 96.0%

: 2788-84-3
(S)-serine methyl ester

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

: 23828-09-3
N-(benzyloxycarbonyl)-L-phenylalanyl-L-serine methyl ester

Guidance literature:: With triethylamine; betamethasone sodium phosphate; In N,N-dimethyl-formamide; for 3h; Ambient temperature;
DOI:10.1016/S0040-4039(00)94888-3

Reference yield: 83.0%

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

: 5680-80-8
methyl (2S)-2-amino-3-hydroxypropanoate hydrochloride

: 23828-09-3
N-(benzyloxycarbonyl)-L-phenylalanyl-L-serine methyl 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