2-Bromodibenzofuran

Base Information

• Chemical Name: 2-Bromodibenzofuran
• CAS No.: 86-76-0
• Molecular Formula: C12H7BrO
• Molecular Weight: 247.091
• Hs Code.: 29329990
• European Community (EC) Number: 659-733-5
• NSC Number: 1735
• UNII: C36TC73SME
• DSSTox Substance ID: DTXSID20235337
• Nikkaji Number: J405.015K
• Wikidata: Q72454043
• Mol file: 86-76-0.mol

Synonyms:2-Bromodibenzo[b,d]furan;86-76-0;2-BROMODIBENZOFURAN;2-BROMO-DIBENZOFURAN;Dibenzofuran, 2-bromo-;C12H7BrO;C36TC73SME;NSC 1735;NSC-1735;MFCD00092338;Dibenzofuran, 2-bromo- (8CI)(9CI);NSC1735;2-Bromo dibenzofuran;UNII-C36TC73SME;SCHEMBL67700;2-Bromo-dibenzofuran, 98%;DTXSID20235337;AMY25851;AKOS000202592;CS-W014116;DS-2081;SB66894;SY033174;B4459;FT-0631409;EN300-212013;A847614;(2-MORPHOLIN-4-YL-2-OXO-ETHYLSULFANYL)-ACETICACID;4-bromo-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-bromo-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene

Chemical Property of 2-Bromodibenzofuran

Chemical Property:

• Melting Point: 121-122℃
• Refractive Index: 1.5290 (estimate)
• Boiling Point: 343.8 °C at 760 mmHg
• Flash Point: 161.7 °C
• PSA: 13.14000
• Density: 1.35 g/cm³
• LogP: 4.34850
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in hot methanol.
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 245.96803
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99%, ^*data from raw suppliers

2-Bromodibenzofuran ^*data from reagent suppliers

Safty Information:

• Statements: 22-36-53
• Safety Statements: 26-36-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Br
• Description: 2-Bromo-dibenzofuran is the bromo modified form of dibenzofuran, an aromatic compound consisting two benzene rings fused to a central furan ring. It can be used as a reagent in Friedel-Crafts acylation reactions.
• Uses: 2-Bromodibenzofuran is used as a reagent in Friedel-Crafts acylation reactions.

Technology Process of 2-Bromodibenzofuran

There total 15 articles about 2-Bromodibenzofuran 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: 95.5%

2-bromo-6-hydroxy-6H-dibenzo[c,e][1,2]oxaborin → 2-bromodibenzo[b,d]furan (86-76-0)

Guidance literature:

With 1,10-Phenanthroline; copper diacetate; silver carbonate; In ethanol; water; at 40 ℃; for 15h;

DOI:10.1021/acs.orglett.0c02584

Reference yield: 85.0%

(x)BF4*C12H8BrN2O(1+) → 2-bromodibenzo[b,d]furan (86-76-0)

Guidance literature:

With palladium diacetate; In ethanol; Reflux;

DOI:10.1055/s-0031-1289881

Reference yield: 83.0%

dibenzofuran (132-64-9,214827-48-2) → 2-bromodibenzo[b,d]furan (86-76-0)

Guidance literature:

With N-Bromosuccinimide; zirconium(IV) chloride; In N,N-dimethyl-formamide; at 70 ℃; for 18h; Inert atmosphere; Schlenk technique;

upstream raw materials:

dibenzofuran

dibenzo[b,d]furan-2-amine

5-bromo-2-phenoxyaniline

2-(4-bromo-phenoxy)-aniline

Downstream raw materials:

bis-(2-dibenzofuranyl)-phenylphosphine

(2-dibenzofuranyl)-diphenylphosphine

4-hydroxydibenzofuran

1-bromodibenzofuran-2-ol

Refernces

• 1、 -. "COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF". Paragraph 0263-0267; 0288-0289; 0291. . Retrieved 2020/04/30.
• 2、 Sumida, Yuto,Harada, Ryu,Sumida, Tomoe,Johmoto, Kohei,Uekusa, Hidehiro,Hosoya, Takamitsu. "Synthesis of Dibenzofurans by Cu-Catalyzed Deborylative Ring Contraction of Dibenzoxaborins". supporting information. p. 6687 - 6691. Retrieved 2020/09/02.