(betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine

Base Information

• Chemical Name: (betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine
• CAS No.: 92843-37-3
• Molecular Formula: C₁₀H₁₃NO₅
• Molecular Weight: 227.217
• DSSTox Substance ID: DTXSID60918930
• Mol file: 92843-37-3.mol

Synonyms:(L-Tyr)-isomer of 3-(3,4-dihydroxyphenyl)-N-methylserine;3-(3,4-dihydroxyphenyl)-N-methylserine;3-ADCA;adrenaline carboxylic acid

Chemical Property of (betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine

Chemical Property:

• Vapor Pressure: 6.59E-12mmHg at 25°C
• Boiling Point: 526.4°Cat760mmHg
• Flash Point: 272.1°C
• Density: 1.473g/cm³
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 227.07937252
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC(C(C1=CC(=C(C=C1)O)O)O)C(=O)O
• Isomeric SMILES: CN[C@@H]([C@@H](C1=CC(=C(C=C1)O)O)O)C(=O)O

Technology Process of (betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine

There total 2 articles about (betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine 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:

3-(3,4-bis-ethoxycarbonyloxy-phenyl)-3-hydroxy-2-methylamino-propionic acid ethyl ester → 3-(3,4-dihydroxy-phenyl)-3-hydroxy-2-methylamino-propionic acid (89754-21-2,89754-26-7,92843-36-2,92843-37-3,96554-46-0,110013-50-8,110013-51-9)

Guidance literature:

With acetic acid;

Reference yield:

3,4-bis(ethoxycarboxy)-benzaldehyde (113139-62-1) → 3-(3,4-dihydroxy-phenyl)-3-hydroxy-2-methylamino-propionic acid (89754-21-2,89754-26-7,92843-36-2,92843-37-3,96554-46-0,110013-50-8,110013-51-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sarcosine ethyl ester; sodium; diethyl ether / Behandeln der Reaktionsloesung mit Chlorwasserstoff enthaltendem Aethanol

2: aqueous acetic acid

With diethyl ether; Sarcosine ethyl ester; sodium; acetic acid;

upstream raw materials:

3,4-bis(ethoxycarboxy)-benzaldehyde