Boc-Tyr-OMe

Base Information

• Chemical Name: Boc-Tyr-OMe
• CAS No.: 4326-36-7
• Molecular Formula: C15H21NO5
• Molecular Weight: 295.335
• Hs Code.: 29242990
• European Community (EC) Number: 805-703-3
• DSSTox Substance ID: DTXSID60427077
• Nikkaji Number: J465.574E
• Wikidata: Q72450984
• Mol file: 4326-36-7.mol

Synonyms:Boc-Tyr-OMe;4326-36-7;Boc-L-tyrosine methyl ester;N-(tert-Butoxycarbonyl)-L-tyrosine methyl ester;N-Boc-L-tyrosine Methyl Ester;methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate;(S)-methyl 2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate;MFCD00191181;(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoate;(S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionic acid methyl ester;(S)-2-tert-Butoxycarbonylamino-3-[4-hydroxy-phenyl]-propionic acid methyl ester;Boc-L-Tyr-OMe;Boc-Tyr-(Methyl)OH;boc-tyrosine-methyl ester;Boc-Tyr-OMe, 97%;N-Boc-tyrosine methyl ester;N-BOC tyrosine methyl ester;SCHEMBL539574;METHYL 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-HYDROXYPHENYL)PROPANOATE;Nalpha-Boc-tyrosine methyl ester;DTXSID60427077;METHYL N-BOC-L-TYROSINATE;N-(Boc)-L-Tyrosine methyl ester;N-Boc-(L)tyrosine, methyl ester;NQIFXJSLCUJHBB-LBPRGKRZSA-N;CS-M3312;n-(boc)-(s)-tyrosine methyl ester;AKOS015889941;AKOS015924181;methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate;DS-1182;N-t-butoxycarbonyltyrosine methyl ester;METHYL (2S)-3-(4-HYDROXYPHENYL)-2-(TERT-BUTOXYCARBONYLAMINO)PROPANOATE;AC-24047;HY-41257;Methyl (tert-butoxycarbonyl)-L-tyrosinate;N-tert-butoxycarbonyltyrosine methyl ester;methyl N-(tert-butoxycarbonyl)-L-tyrosinate;N-(t-butyloxycarbonyl)tyrosine methyl ester;B2005;N-(t-butyloxycarbonyl) tyrosine methyl ester;N-(tert-Butoxycarbonyl)tyrosine methyl ester;EN300-91954;N-(t-butoxycarbonyl)-L-tyrosine methyl ester;M03336;J-300280;Q-101773;N-alpha-t-Butyloxycarbonyl-L-tyrosine methyl ester (Boc-L-Tyr-OMe);methyl (2S)-2-(t-butoxycarbonylamino)-3-(4-hydroxyphenyl)propionate;methyl (S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionate;(2S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionic acid methyl ester;(2S)-3-(4-hydroxy-phenyl)-2-tert-butoxycarbonylamino-propionic acid methyl ester;(S)-2-tert-butoxycarbonylamino-3-(4 -hydroxyphenyl)propionic acid methyl ester;(S)-2-tert-butoxycarbonylamino-3-(4-hydroxyphenyl)propionic acid methyl ester;(S)-4-hydroxy-alpha[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid methyl ester;(S)-4-hydroxyalpha[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid methyl ester

Chemical Property of Boc-Tyr-OMe

Chemical Property:

• Vapor Pressure: 8.19E-09mmHg at 25°C
• Melting Point: 100-104 °C(lit.)
• Refractive Index: 50 ° (C=1, MeOH)
• Boiling Point: 452.7 °C at 760 mmHg
• PKA: 9.75±0.15(Predicted)
• Flash Point: 227.6 °C
• PSA: 84.86000
• Density: 1.169 g/cm³
• LogP: 2.39190
• Storage Temp.: -15°C
• Solubility.: almost transparency in Methanol
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 295.14197277
• Heavy Atom Count: 21
• Complexity: 356

Purity/Quality:

99% ^*data from raw suppliers

Boc-L-tyrosine methyl ester ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Boc-Tyr-OMe

There total 42 articles about Boc-Tyr-OMe 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + L-Tyr-OMe (1080-06-4) → (S)-N-(tert-butoxycarbonyl)tyrosine methyl ester (4326-36-7)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; at 20 ℃; for 15h;

DOI:10.1021/ja074392m

Reference yield: 100.0%

Boc-Tyr-OH (3978-80-1) + methyl iodide (74-88-4) → (S)-N-(tert-butoxycarbonyl)tyrosine methyl ester (4326-36-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.566667h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b00968

Reference yield: 100.0%

methanol (67-56-1) + di-tert-butyl dicarbonate (24424-99-5) + L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) → (S)-N-(tert-butoxycarbonyl)tyrosine methyl ester (4326-36-7)

Guidance literature:

methanol; L-tyrosine; With thionyl chloride; for 3h; Inert atmosphere; Heating;

di-tert-butyl dicarbonate; With triethylamine; In methanol; for 20h; Inert atmosphere;

DOI:10.1016/j.tetasy.2017.10.029

upstream raw materials:

N-(tert-butyloxycarbonyl) azide

L-Tyr-OMe

di-tert-butyl dicarbonate

L-tyrosine methyl ester HCl

Downstream raw materials:

(S)-2-t-butoxycarbonylamino-3-(4-propoxyphenyl)propionic acid methyl ester

methyl N-(tert-butoxycarbonyl)-O-[(trifluoromethyl)sulfonyl]-L-tyrosinate

L-Tyr-OMe

methyl 2(S)-<(tert-butyloxycarbonyl)amino>-3-<(4-tert-butyloxy)phenyl>propanoate

Refernces

• 1、 Masferrer-Rius, Eduard,Borrell, Margarida,Lutz, Martin,Costas, Miquel,Klein Gebbink, Robertus J. M.. "Aromatic C?H Hydroxylation Reactions with Hydrogen Peroxide Catalyzed by Bulky Manganese Complexes". . p. 3783 - 3795. Retrieved 2021/03/09.
• 2、 -. "BORYLATED AMINO ACID COMPOSITIONS FOR USE IN BORON NEUTRON CAPTURE THERAPY AND METHODS THEREOF". Page/Page column 4; 25. . Retrieved 2020/09/19.