Phenol, 4-(2-aminoethyl)-2-bromo-

Base Information

• Chemical Name: Phenol, 4-(2-aminoethyl)-2-bromo-
• CAS No.: 98489-01-1
• Molecular Formula: C8H10BrNO
• Molecular Weight: 216.077
• DSSTox Substance ID: DTXSID60415838
• Nikkaji Number: J973.962I
• Wikidata: Q82224861
• Metabolomics Workbench ID: 134891
• ChEMBL ID: CHEMBL450778

Synonyms:3-bromotyramine;4-(2-Amino-aethyl)-2-brom-phenol;4-(2-Amino-ethyl)-2-bromo-phenol;

Chemical Property of Phenol, 4-(2-aminoethyl)-2-bromo-

Chemical Property:

• PSA: 46.25000
• LogP: 2.35620
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.99458
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCN)Br)O

Technology Process of Phenol, 4-(2-aminoethyl)-2-bromo-

There total 2 articles about Phenol, 4-(2-aminoethyl)-2-bromo- 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:

tyrosamine (51-67-2) → 2-(3-bromo-4-hydroxyphenyl)ethylamine (98489-01-1)

Guidance literature:

With tetra-N-butylammonium tribromide; calcium carbonate; In methanol; dichloromethane; for 0.0833333h;

DOI:10.1021/ac980018g

Reference yield:

tyramine hydrochloride (60-19-5) → 2-(3-bromo-4-hydroxyphenyl)ethylamine (98489-01-1)

Guidance literature:

With dioxane-bromo-;

Reference yield: 68.0%

2-(3-bromo-4-hydroxyphenyl)ethylamine (98489-01-1) + 3-[3,5-Dibromo-4-(3-bromo-5-{2-carboxy-2-[(E)-hydroxyimino]-ethyl}-2-hydroxy-phenoxy)-phenyl]-2-[(E)-hydroxyimino]-propionic acid → 3-[3-Bromo-5-(2,6-dibromo-4-{2-[2-(3-bromo-4-hydroxy-phenyl)-ethylcarbamoyl]-2-[(Z)-hydroxyimino]-ethyl}-phenoxy)-4-hydroxy-phenyl]-N-[2-(3-bromo-4-hydroxy-phenyl)-ethyl]-2-[(E)-hydroxyimino]-propionamide (75513-47-2)

Guidance literature:

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In dichloromethane; at 24 ℃; for 24h;

DOI:10.1021/jo9721204

upstream raw materials:

tyramine hydrochloride

tyrosamine

Downstream raw materials:

3-[3-Bromo-5-(2,6-dibromo-4-{2-[2-(3-bromo-4-hydroxy-phenyl)-ethylcarbamoyl]-2-[(Z)-hydroxyimino]-ethyl}-phenoxy)-4-hydroxy-phenyl]-N-[2-(3-bromo-4-hydroxy-phenyl)-ethyl]-2-[(E)-hydroxyimino]-propionamide

bastadin-3

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