(S)-tert-Butyl 2-amino-3-(4-(tert-butoxy)phenyl)propanoate hydrochloride

Base Information

• Chemical Name: (S)-tert-Butyl 2-amino-3-(4-(tert-butoxy)phenyl)propanoate hydrochloride
• CAS No.: 17083-23-7
• Molecular Formula: C17H28ClNO3
• Molecular Weight: 329.867
• Hs Code.: 2922509090
• European Community (EC) Number: 893-806-4
• DSSTox Substance ID: DTXSID20585086
• Mol file: 17083-23-7.mol

Synonyms:17083-23-7;H-Tyr(tBu)-OtBu.HCl;(S)-tert-Butyl 2-amino-3-(4-(tert-butoxy)phenyl)propanoate hydrochloride;H-TYR(TBU)-OTBU HCL;O-t-Butyl-L-tyrosine t-butyl ester hydrochloride;tert-butyl (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate;hydrochloride;O-tert-butyl-L-tyrosine tert-butyl ester hydrochloride;H-L-Tyr(tBu)-OtBu*HCl;MFCD00058002;H-Tyr(OtBu)-OtBu.HCl;Tyrosine, O-(1,1-dimethylethyl)-, 1,1-dimethylethyl ester, hydrochloride;H-Tyr(Tbu)-Otbu Hydrochloride;O-tert.Butyl-L-tyrosine tert.butyl ester hydrochloride;SCHEMBL7325406;DTXSID20585086;(S)-tert-Butyl 2-amino-3-(4-(tert-butoxy)-phenyl)propanoate hydrochloride;AKOS015918348;AM82346;s11996;545390-26-9;DS-16384;CS-0154660;o-tert-butyl-l-tyrosine tert-butyl ester hcl;A811246;tert-butyl O-tert-butyl-L-tyrosinate hydrochloride;tert-Butyl O-tert-butyl-L-tyrosinate--hydrogen chloride (1/1);tert-butyl 2-amino-3-(4-tert-butoxyphenyl)propanoate hydrochloride;(S)-tert-butyl 2-amino-3-(4-tert-butoxyphenyl)propanoate hydrochloride;tert-Butyl (S)-2-amino-3-(4-(tert-butoxy)phenyl)propanoate hydrochloride;Tyrosine, O-(1,1-dimethylethyl)-, 1,1-dimethylethyl ester, hydrochloride (9CI) racemi

Chemical Property of (S)-tert-Butyl 2-amino-3-(4-(tert-butoxy)phenyl)propanoate hydrochloride

Chemical Property:

• Vapor Pressure: 6.01E-06mmHg at 25°C
• Melting Point: 159-160℃
• Refractive Index: 1.504
• Boiling Point: 408.6 °C at 760 mmHg
• Flash Point: 200.9 °C
• PSA: 61.55000
• Density: 1.026g/cm3
• LogP: 4.57770
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 329.1757714
• Heavy Atom Count: 22
• Complexity: 333

Purity/Quality:

98% ^*data from raw suppliers

tert-Butyl(2S)-2-Amino-3-[4-(tert-butoxy)phenyl]propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)OC(C)(C)C)N.Cl
• Isomeric SMILES: CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)OC(C)(C)C)N.Cl

Technology Process of (S)-tert-Butyl 2-amino-3-(4-(tert-butoxy)phenyl)propanoate hydrochloride

There total 4 articles about (S)-tert-Butyl 2-amino-3-(4-(tert-butoxy)phenyl)propanoate hydrochloride 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: 61.0%

O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine 1,1-dimethylethyl ester (17083-17-9) → 2-amino-3-(4-tert-butoxy-phenyl)-propionic acid tert-butyl ester (17083-23-7)

Guidance literature:

With hydrogenchloride; dichloromethane; hydrogen; palladium on activated charcoal; 1.) ethanol, 7 h;

Reference yield:

Z-L-Tyr-OH (1164-16-5) → 2-amino-3-(4-tert-butoxy-phenyl)-propionic acid tert-butyl ester (17083-23-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / conc.H₂SO₄ / CH₂Cl₂ / 168 h

2: 61 percent / 1.) H₂, 2.) 1N HCl/CH₂Cl₂ / 1.) 10 percent Pd/C / 1.) ethanol, 7 h

With hydrogenchloride; dichloromethane; sulfuric acid; hydrogen; palladium on activated charcoal; In dichloromethane;

Reference yield:

N-[(phenylmethoxy)carbonyl]-L-tyrosine (16679-94-0) → 2-amino-3-(4-tert-butoxy-phenyl)-propionic acid tert-butyl ester (17083-23-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 89 percent

2: 74 percent / conc.H₂SO₄ / CH₂Cl₂ / 168 h

3: 61 percent / 1.) H₂, 2.) 1N HCl/CH₂Cl₂ / 1.) 10 percent Pd/C / 1.) ethanol, 7 h

With hydrogenchloride; dichloromethane; sulfuric acid; hydrogen; palladium on activated charcoal; In dichloromethane;

upstream raw materials:

O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine 1,1-dimethylethyl ester

Z-L-Tyr-OH

N-[(phenylmethoxy)carbonyl]-L-tyrosine

L-tyrosine ethyl ester monohydrochloride

Downstream raw materials:

C₃₁H₄₄N₆O₈

Adpoc-L-Val-L-Tyr(t-Bu)-O-t-Bu

Z-Gly-L-Tyr(O-t-Bu)-O-t-Bu

Refernces