(S)-2-Benzyloxycarbonylamino-3-(4-benzyloxy-3-hydroxy-phenyl)-propionic acid methyl ester

Base Information Edit

Chemical Name:(S)-2-Benzyloxycarbonylamino-3-(4-benzyloxy-3-hydroxy-phenyl)-propionic acid methyl ester
CAS No.:105229-41-2
Molecular Formula:C25H25NO6
Molecular Weight:435.477
Hs Code.:
DSSTox Substance ID:DTXSID60462140
Nikkaji Number:J351.048D
Wikidata:Q82286639
Mol file:105229-41-2.mol

Synonyms:105229-41-2;(S)-2-Benzyloxycarbonylamino-3-(4-benzyloxy-3-hydroxy-phenyl)-propionic acid methyl ester;methyl (2S)-3-(3-hydroxy-4-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate;4-O-Benzyl-N-[(benzyloxy)carbonyl]-L-DOPA Methyl Ester;XRUVERDUHRJKJQ-NRFANRHFSA-N;SCHEMBL3642862;DTXSID60462140;Methyl (S)-3-(4-(benzyloxy)-3-hydroxyphenyl)-2-(((benzyloxy)carbonyl)amino)propanoate

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

Supply Marketing:Edit

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

TRC
4-O-Benzyl-N-[(benzyloxy)carbonyl]-L-DOPAMethylEster
1g
$ 1540.00

Medical Isotopes, Inc.
4-O-Benzyl-N-[(benzyloxy)carbonyl]-L-DOPAMethylEster
100 mg
$ 675.00

Total 4 raw suppliers

Chemical Property of (S)-2-Benzyloxycarbonylamino-3-(4-benzyloxy-3-hydroxy-phenyl)-propionic acid methyl ester Edit

Chemical Property:

Boiling Point:636.8±55.0 °C(Predicted)
PKA:9.43±0.35(Predicted)
PSA：97.58000
Density:1.250±0.06 g/cm3(Predicted)
LogP:4.18610
Solubility.:Dichloromethane
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:435.16818752
Heavy Atom Count:32
Complexity:573

Purity/Quality:

99% ^*data from raw suppliers

4-O-Benzyl-N-[(benzyloxy)carbonyl]-L-DOPAMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3
Isomeric SMILES:COC(=O)[C@H](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3
Uses Intermediate in the preparation of a L-DOPA (D533751) metabolite.

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

There total 16 articles about (S)-2-Benzyloxycarbonylamino-3-(4-benzyloxy-3-hydroxy-phenyl)-propionic acid methyl 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: 93.0%

: 421556-69-6
(S)-N-benzyloxycarbonyl-3-(4-benzyloxy-3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl)alanine methyl ester

: 105229-41-2
N-[(phenylmethoxy)carbonyl]-3-hydroxy-O-(phenylmethyl)-L-tyrosine methyl ester

Guidance literature:: With dihydrogen peroxide; In methanol; water; at 20 ℃; for 0.5h;
DOI:10.1071/CH03181

Reference yield: 85.0%

: 367967-66-6
N-[(phenylmethoxy)carbonyl]-3-formyl-O-(phenylmethyl)-L-tyrosine methyl ester

: 105229-41-2
N-[(phenylmethoxy)carbonyl]-3-hydroxy-O-(phenylmethyl)-L-tyrosine methyl ester

Guidance literature:: N-[(phenylmethoxy)carbonyl]-3-formyl-O-(phenylmethyl)-L-tyrosine methyl ester; With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 7h;

With ammonia; In methanol; at 20 ℃; for 0.5h;
DOI:10.1081/scc-100104476