2-[2-[[3-(4-Hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoylamino]acetic acid

Base Information

• Chemical Name: 2-[2-[[3-(4-Hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoylamino]acetic acid
• CAS No.: 64410-47-5
• Molecular Formula: C₁₉H₂₇N₃O₇
• Molecular Weight: 409.439
• DSSTox Substance ID: DTXSID90404598

Synonyms:BOC-TYR-D-ALA-GLY-OH;Boc-Tyr-D-Ala-Gly;2-[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoylamino]acetic acid;DTXSID90404598;FT-0770752

Chemical Property of 2-[2-[[3-(4-Hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoylamino]acetic acid

Chemical Property:

• Melting Point: 146-148℃
• PSA: 154.06000
• LogP: 1.70620
• Storage Temp.: −20°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 409.18490021
• Heavy Atom Count: 29
• Complexity: 595

Purity/Quality:

97% ^*data from raw suppliers

BOC-TYR-D-ALA-GLY-OH 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)OC(C)(C)C

Technology Process of 2-[2-[[3-(4-Hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoylamino]acetic acid

There total 22 articles about 2-[2-[[3-(4-Hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoylamino]acetic acid 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: 95.0%

Boc-Tyr(Bzl)-D-Ala-Gly-OBzl (66959-85-1) → N-(tert-butyloxycarbonyl)-L-tyrosyl-D-alanylglycine (64410-47-5,79225-08-4)

Guidance literature:

With hydrogen; palladium; In methanol;

DOI:10.1248/cpb.42.1859

Reference yield: 88.0%

Boc-Tyr-D-Ala-Gly-OEt (77621-73-9) → Boc-Tyr-D-Ala-Gly (64410-47-5,79225-08-4)

Guidance literature:

With sodium hydroxide; In methanol; water; for 1h; Ambient temperature;

Reference yield: 81.0%

N-(tert-butyloxycarbonyl)-L-tyrosyl-D-alanylglycine methyl ester (78537-07-2) → N-(tert-butyloxycarbonyl)-L-tyrosyl-D-alanylglycine (64410-47-5,79225-08-4)

Guidance literature:

With sodium hydroxide; In methanol; 0 deg C, 30 min -> room temperature, 5 h;

DOI:10.1021/jm00397a019

upstream raw materials:

Boc-Tyr(Bzl)-D-Ala-Gly-OBzl

N-(tert-butyloxycarbonyl)-L-tyrosyl-D-alanylglycine methyl ester

N^α-Boc-Tyr-D-Ala-Gly-OEt

ethyl D-alanylglycinate

Downstream raw materials:

Boc-Tyr(OH)-D-Ala-Gly-(aminomethyl)cyclobutane

Boc-Tyr(OH)-D-Ala-Gly-1-aminoindan

(S)-2-[(2-{(R)-2-[(S)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-acetyl)-methyl-amino]-4-methyl-pentanoic acid benzyl ester

Boc-Tyr(OH)-D-Ala-Gly-(aminomethyl)cyclopropane

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