l-Tyrosine butyl ester

Base Information

• Chemical Name: l-Tyrosine butyl ester
• CAS No.: 6292-90-6
• Molecular Formula: C₁₃H₁₉NO₃
• Molecular Weight: 237.299
• DSSTox Substance ID: DTXSID50877305
• Nikkaji Number: J833.031J
• Wikidata: Q82859069
• Mol file: 6292-90-6.mol

Synonyms:l-Tyrosine butyl ester;6292-90-6;tyrosine butyl ester;L-Tyrosine n-butyl ester;L-TYROSINE,BUTYL ESTER;SCHEMBL2271874;DTXSID50877305;DCAUNIBIBOKWOZ-LBPRGKRZSA-N;Butyl 2-amino-3-(4-hydroxyphenyl)propanoate #;(S)-Butyl 2-amino-3-(4-hydroxyphenyl)propanoate;butyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Chemical Property of l-Tyrosine butyl ester

Chemical Property:

• Vapor Pressure: 5.28E-06mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 370.2 °C at 760 mmHg
• Flash Point: 177.7 °C
• PSA: 72.55000
• Density: 1.125 g/cm³
• LogP: 2.30560
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 237.13649347
• Heavy Atom Count: 17
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

L-TYROSINE BUTYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C(CC1=CC=C(C=C1)O)N
• Isomeric SMILES: CCCCOC(=O)[C@H](CC1=CC=C(C=C1)O)N

Technology Process of l-Tyrosine butyl ester

There total 2 articles about l-Tyrosine butyl 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:

L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) + butan-1-ol (71-36-3) → 4-Hydroxy-L-phenylalanin-butylester (125511-47-9,6292-90-6)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 60 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1055/a-1672-3000

Reference yield:

→ 4-Hydroxy-L-phenylalanin-butylester (125511-47-9,6292-90-6)

Guidance literature:

Aus d. entspr. Saeure;

Reference yield: 52.0%

4-Hydroxy-L-phenylalanin-butylester (125511-47-9,6292-90-6) + 1-(tert-butoxycarbonylamino)cyclopentanecarboxylic acid (35264-09-6) → (S)-2-[(1-tert-Butoxycarbonylamino-cyclopentanecarbonyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid butyl ester (1027260-72-5)

Guidance literature:

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1021/jm960323z

upstream raw materials:

L-tyrosine

butan-1-ol

Downstream raw materials:

(S)-2-[(1-tert-Butoxycarbonylamino-cyclopentanecarbonyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid butyl ester

(S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-methyl-butyrylamino)-cyclopentanecarbonyl]-amino}-propionic acid butyl ester

(S)-2-{[1-((S)-2-Acetylsulfanyl-3-methyl-butyrylamino)-cyclopentanecarbonyl]-amino}-3-(4-hydroxy-phenyl)-propionic acid butyl ester

Refernces