Methyl D-tyrosinate hydrochloride

Base Information

• Chemical Name: Methyl D-tyrosinate hydrochloride
• CAS No.: 3728-20-9
• Molecular Formula: C10H14ClNO3
• Molecular Weight: 231.679
• Hs Code.: 2922509090
• European Community (EC) Number: 223-084-2
• UNII: 7R5Z5TEQ9D
• DSSTox Substance ID: DTXSID40190732
• Mol file: 3728-20-9.mol

Synonyms:3728-20-9;h-d-tyr-ome.hcl;D-Tyrosine methyl ester hydrochloride;H-D-Tyr-Ome HCl;Methyl D-tyrosinate hydrochloride;H-D-Try-OMe-HCl;D-Tyrosine, methyl ester, hydrochloride;(R)-Methyl 2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride;D-Tyrosine methyl ester HCl;Methyl D-tyrosinate HCl;7R5Z5TEQ9D;Tyrosine methylester hydrochloride;EINECS 223-084-2;Tyrosine methyl ester hydrochloride;methyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride;MFCD00066124;H-D-Tyr-OMe. HCl;UNII-7R5Z5TEQ9D;H-D-Tyr-OMe hydrochloride;SCHEMBL1255128;D-tyrosine methyl ester HCl salt;DTXSID40190732;methyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate,hydrochloride;AKOS016842894;AM82341;H-D-Tyr-OMe hydrochloride, AldrichCPR;(r)-d-tyrosine methyl ester hydrochloride;AS-12766;CS-0128875;D-tyrosine methyl ester hydrochloric acid salt;F14566;A822112;J-300285;Q-101740;D-Tyrosine methyl ester hydrochloride H-D-Tyr-OMe-HCl;D-TYROSINE, METHYL ESTER, HYDROCHLORIDE (1:1);(R)-Methyl 2-amino-3-(4-hydroxyphenyl)propionate hydrochloride;(R)-2-amino-3-(4-hydroxyphenyl)propionic acid methyl ester hydrochloride;methyl 2-amino-3-(4-hydroxyphenyl)propanoate chloride;L-Tyrosine methyl ester hydrochloride

Chemical Property of Methyl D-tyrosinate hydrochloride

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 8.89E-05mmHg at 25°C
• Melting Point: 177-179℃
• Boiling Point: 330 °C at 760 mmHg
• Flash Point: 153.4 °C
• PSA: 72.55000
• LogP: 1.93730
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 231.0662210
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

99%, ^*data from raw suppliers

D-Tyrosine methyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC=C(C=C1)O)N.Cl
• Isomeric SMILES: COC(=O)[C@@H](CC1=CC=C(C=C1)O)N.Cl
• Uses: D-Tyrosine methyl ester hydrochloride is an intermediate in the synthesis of oxybutynin chloride (O868525), an inhibitor of proliferation and supresses gene expression in bladder smooth muscle cells.

Technology Process of Methyl D-tyrosinate hydrochloride

There total 8 articles about Methyl D-tyrosinate 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: 100.0%

methanol (67-56-1) + tyrosine (556-02-5,18875-48-4,25619-78-7,30704-25-7) → D-tyrosine methylester hydrochloride (3728-20-9)

Guidance literature:

With acetyl chloride;

DOI:10.1021/ol017016u

Reference yield: 100.0%

methanol (67-56-1) + ?Tyr (556-02-5,556-03-6,34537-57-0,55520-40-6,96946-98-4,60-18-4,18875-48-4,25619-78-7,30704-25-7) → tyrosine methyl ester hydrochloride (3417-91-2,3728-20-9,68697-61-0)

Guidance literature:

With thionyl chloride; at 10 - 25 ℃; Cooling with ice;

Reference yield: 100.0%

→ tyrosine methyl ester hydrochloride (3417-91-2,3728-20-9,68697-61-0)

Guidance literature:

With thionyl chloride; at 0 - 75 ℃; for 21h;

upstream raw materials:

methanol

?Tyr

N-(tert-butoxycarbonyl)tyrosine

tyrosine

Downstream raw materials:

β-benzylthiopropionyl-D-tyrosine hydrazide

(R)-α-methylbenzylcarbamoyl-D-tyrosine methyl ester

2-(5,5-Dimethyl-3-oxo-cyclohex-1-enylamino)-3-(4-hydroxy-phenyl)-propionic acid methyl ester

2-Benzenesulfonylamino-3-(4-benzenesulfonyloxy-phenyl)-propionic acid

Refernces

• 1、 Ding, Guangni,Fan, Sijie,Wang, Jingyang,Wang, Yu,Wu, Xiaoyu,Xie, Xiaomin,Yang, Liqun,Zhang, Zhaoguo. "Nickel-catalyzed deallylation of aryl allyl ethers with hydrosilanes". supporting information. . Retrieved 2021/09/28.
• 2、 -. "N-transfer reagent and method for preparing the same and its application". Page/Page column 24; 49-50; 55-56. . Retrieved 2021/06/25.