hexyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate

Base Information

• Chemical Name: hexyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
• CAS No.: 122280-11-9
• Molecular Formula: C₂₃H₂₉NO₅
• Molecular Weight: 399.487
• DSSTox Substance ID: DTXSID601230137
• Mol file: 122280-11-9.mol

Synonyms:122280-11-9;Z-L-Tyrosine hexyl ester;hexyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate;Z-TYR-OHEX;DTXSID601230137;N-[(Phenylmethoxy)carbonyl]-L-tyrosine hexyl ester;(S)-hexyl 2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoate

Chemical Property of hexyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate

Chemical Property:

• PSA: 88.35000
• LogP: 4.55760
• Storage Temp.: Store at RT.
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 399.20457303
• Heavy Atom Count: 29
• Complexity: 470

Purity/Quality:

98%Min ^*data from raw suppliers

Z-L-Tyrosinehexylester 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of hexyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate

There total 1 articles about hexyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)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: 84.0%

Z-L-Tyr-OH (1164-16-5) + hexan-1-ol (111-27-3) → N-((benzyloxy)carbonyl)-L-tyrosine n-hexyl ester (122280-11-9)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 25 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c01444

upstream raw materials:

Z-L-Tyr-OH

hexan-1-ol

Refernces