2,4,6-Tribromoresorcinol

Base Information

• Chemical Name: 2,4,6-Tribromoresorcinol
• CAS No.: 2437-49-2
• Molecular Formula: C6H3Br3O2
• Molecular Weight: 346.801
• Hs Code.: 2908199090
• European Community (EC) Number: 219-442-2
• NSC Number: 10857
• UNII: 86OZJ65140
• DSSTox Substance ID: DTXSID90179113
• Nikkaji Number: J54.292J
• Wikidata: Q209183
• Mol file: 2437-49-2.mol

Synonyms:2,4,6-Tribromoresorcinol;2437-49-2;2,4,6-tribromobenzene-1,3-diol;1,3-Benzenediol, 2,4,6-tribromo-;RESORCINOL, 2,4,6-TRIBROMO-;EINECS 219-442-2;MFCD00009717;NSC 10857;2.4.6-Tribromoresorcinol;1,3,5-Tribromo-2,4-dihydroxybenzene;BRN 1955462;UNII-86OZJ65140;NSC-10857;86OZJ65140;4-06-00-05688 (Beilstein Handbook Reference);C6H3Br3O2;tribromoresorcinol;NSC10857;2,6-Tribromoresorcinol;2,4,6-Tribromresorcin;Resorcinol,4,6-tribromo-;2,4,6-tribromo resorcinol;1, 2,4,6-tribromo-;SCHEMBL69904;WLN: QR CQ BE DE FE;C6-H3-Br3-O2;DTXSID90179113;2,4,6-Tribromoresorcinol, 98%;CAA43749;2,4,6-Tribromo-1,3-benzenediol #;AKOS005254707;LS-143423;CS-0157884;T2620;D83805;Q209183;J-015474

Chemical Property of 2,4,6-Tribromoresorcinol

Chemical Property:

• Vapor Pressure: 0.0105mmHg at 25°C
• Melting Point: 114-116 °C(lit.)
• Refractive Index: 1.716
• Boiling Point: 254.9 °C at 760 mmHg
• PKA: 5.83±0.28(Predicted)
• Flash Point: 108 °C
• PSA: 40.46000
• Density: 2.571 g/cm³
• LogP: 3.38530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 345.76627
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

98% ^*data from raw suppliers

2,4,6-Tribromoresorcinol >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Br)O)Br)O)Br

Technology Process of 2,4,6-Tribromoresorcinol

There total 36 articles about 2,4,6-Tribromoresorcinol 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: 91.5%

4-(1-adamantyl)benzene-1,3-diol (74131-25-2) → 1-Adamantyl bromide (768-90-1) + 2,4,6-tribromoresorcinol (2437-49-2) + 2,6-Dibromo-4-(1-adamantyl)resorcinol (74131-27-4)

Guidance literature:

With bromine; In methanol; acetic acid; for 1h; Ambient temperature;

DOI:10.1007/BF00765913

Reference yield: 89.0%

1,3-cylohexanedione (504-02-9) → 2,4,6-tribromoresorcinol (2437-49-2)

Guidance literature:

With oxygen; copper diacetate; trifluoroacetic acid; lithium bromide; In acetonitrile; at 80 ℃; for 10h; under 760.051 Torr; Sealed tube;

DOI:10.1002/ejoc.201400158

Reference yield: 87.0%

3-Ethoxycyclohex-2-en-1-one (5323-87-5) → 2,4,6-tribromoresorcinol (2437-49-2)

Guidance literature:

With oxygen; copper diacetate; trifluoroacetic acid; lithium bromide; In acetonitrile; at 80 ℃; for 10h; under 760.051 Torr; Sealed tube;

DOI:10.1002/ejoc.201400158

upstream raw materials:

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

recorcinol

ethanol

2,2,4,6,6-pentabromo-cyclohex-4-ene-1,3-dione

Downstream raw materials:

2,4-dibromo-5-hydroxyphenol

2-bromoresorcinol

2,4-dibromo-1,3-benzenediol

2-bromo-4,6-dinitro-resorcinol

Refernces

• 1、 Liu, Zhigang,Meng, Yifei,Yuan, Pengrui,Wang, Zhengshen,Gao, Jin-Ming,Zheng, Huaiji. "Total Synthesis of Caesalpinnone A". . p. 520 - 522. Retrieved 2020.
• 2、 Saikia, Indranirekha,Chakraborty, Pranita,Sarma, Manas Jyoti,Goswami, Mridusmita,Phukan, Prodeep. "Rapid and total bromination of aromatic compounds using TsNBr2 without any catalyst". . p. 211 - 217. Retrieved 2015/10/29.