Monochlorotyrosine

Base Information

• Chemical Name: Monochlorotyrosine
• CAS No.: 7298-90-0
• Molecular Formula: C9H10ClNO3
• Molecular Weight: 215.636
• UNII: WK019939LW
• DSSTox Substance ID: DTXSID10864059
• Nikkaji Number: J2.378.234K
• Wikidata: Q27073727
• Metabolomics Workbench ID: 165847
• Mol file: 7298-90-0.mol

Synonyms:3-chloro-L-tyrosine;3-chlorotyrosine;3-chlorotyrosine hydrochloride, (L)-isomer;3-chlorotyrosine, (L)-isomer;3-chlorotyrosine, DL-;3-chlorotyrosine, DL-isomer

Chemical Property of Monochlorotyrosine

Chemical Property:

• XLogP3: -1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.0349209
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

98% Min ^*data from raw suppliers

3-CHLORO-L-TYROSINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O

Technology Process of Monochlorotyrosine

There total 3 articles about Monochlorotyrosine 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-chloro-4-hydroxy-phenyl)-2-oxo-propionic acid → 3-Chloro-L-tyrosine (7298-90-0)

Guidance literature:

With water; ammonium formate; sodium cyanoborohydride; In methanol; at 20 ℃; for 15h; Inert atmosphere;

DOI:10.1002/ejoc.202000061

Reference yield:

(S)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid (7423-93-0) → 3-Chloro-L-tyrosine (7298-90-0)

Guidance literature:

Multi-step reaction with 2 steps

1: l-amino acid deaminase / aq. phosphate buffer / 6 h / pH 2 / Enzymatic reaction

2: ammonium formate; sodium cyanoborohydride; water / methanol / 15 h / 20 °C / Inert atmosphere

With l-amino acid deaminase; water; ammonium formate; sodium cyanoborohydride; In methanol; aq. phosphate buffer;

DOI:10.1002/ejoc.202000061

Reference yield:

→ 3-Chloro-L-tyrosine (7298-90-0)

Guidance literature:

Di-p-(2-amino-2-carboxyethyl-phenyl)-peroxyd-dihydrochlorid, 6n-HCl, Δ;

upstream raw materials:

(S)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid

Refernces