3-Bromotyrosine

Base Information

• Chemical Name: 3-Bromotyrosine
• CAS No.: 54788-30-6
• Molecular Formula: C9H10BrNO3
• Molecular Weight: 260.087
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID30970126
• Nikkaji Number: J3.117.521F
• Wikidata: Q27151411
• Mol file: 54788-30-6.mol

Synonyms:3-bromo-DL-tyrosine;3-bromo-Tyr;3-bromotyrosine

Chemical Property of 3-Bromotyrosine

Chemical Property:

• Vapor Pressure: 3.27E-07mmHg at 25°C
• Boiling Point: 402.8oC at 760 mmHg
• PKA: 2.21±0.20(Predicted)
• Flash Point: 197.4oC
• PSA: 83.55000
• Density: 1.71g/cm3
• LogP: 1.80940
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 258.98441
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

98% ,99% , ^*data from raw suppliers

2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoicacid 95+% ^*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)Br)O

Technology Process of 3-Bromotyrosine

There total 5 articles about 3-Bromotyrosine 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:

ianthesine B → 3,5-dibromo-DL-tyrosine (537-24-6) + 3-bromotyrosine (54788-30-6,7298-91-1)

Guidance literature:

With hydrogen bromide; In water; for 24h; Heating;

DOI:10.1016/S0040-4020(00)00544-5

Reference yield:

?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) → 3-bromotyrosine (54788-30-6,7298-91-1)

Guidance literature:

With bromine; Quinoline sulfate; acetic acid;

DOI:10.1557/JMR.2000.0001

Reference yield:

3-(3-bromo-4-hydroxyphenyl)-2-oxopropionic acid (390424-25-6) → 3-bromotyrosine (54788-30-6,7298-91-1)

Guidance literature:

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

DOI:10.1002/ejoc.202000061

upstream raw materials:

3-bromo-O-methyl-tyrosine

?Tyr

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

3-(3-bromo-4-hydroxyphenyl)-2-oxopropionic acid

Downstream raw materials:

?Tyr

Refernces

• 1、 Okamoto, Yoshihiro,Ojika, Makoto,Kato, Shigemasa,Sakagami, Youji. "Ianthesines A-D, four novel dibromotyrosine-derived metabolites from a marine sponge, Ianthella sp.". . p. 5813 - 5818. Retrieved 2007/10/03.