3-Chlorodibenzofuran

Base Information

• Chemical Name: 3-Chlorodibenzofuran
• CAS No.: 25074-67-3
• Molecular Formula: C12H7 Cl O
• Molecular Weight: 202.64
• Hs Code.: 2932999099
• UNII: 3PI7K19TKO
• DSSTox Substance ID: DTXSID401017149
• Nikkaji Number: J397.558D
• Wikidata: Q27257866
• ChEMBL ID: CHEMBL139588
• Mol file: 25074-67-3.mol

Synonyms:3-chlorodibenzofuran

Chemical Property of 3-Chlorodibenzofuran

Chemical Property:

• Vapor Pressure: 0.000509mmHg at 25°C
• Melting Point: 101.5°C
• Refractive Index: 1.7100 (rough estimate)
• Boiling Point: 323°Cat760mmHg
• Flash Point: 149.1°C
• PSA: 13.14000
• Density: 1.329g/cm³
• LogP: 4.23940
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 202.0185425
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

3-CHLORODIBENZOFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)Cl

Technology Process of 3-Chlorodibenzofuran

There total 13 articles about 3-Chlorodibenzofuran 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: 87.0%

2-Allyloxy-benzoic acid 4-chloro-phenyl ester (128916-07-4) → 3-chlorodibenzofuran (25074-67-3)

Guidance literature:

at 650 ℃; under 0.001 Torr;

DOI:10.1039/c39900000395

Reference yield: 84.0%

4-chloro-2-phenoxybenzoic acid (69206-97-9) → 3-chlorodibenzofuran (25074-67-3)

Guidance literature:

With acethylacetonato(1,5-cyclooctadiene)rhodium(I); potassium iodide; In acetic anhydride; at 160 ℃; for 10h; Inert atmosphere;

DOI:10.1021/ol4010905

Reference yield: 83.0%

4’-chloro-[1,1’-biphenyl]-2,2’-iodonium triflate → 3-chlorodibenzofuran (25074-67-3)

Guidance literature:

With water; copper diacetate; sodium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1002/ejoc.201900745

upstream raw materials:

3-aminodibenzofuran

3-nitrodibenzofuran

4-chloro-2-phenoxybenzenamine

2-Allyloxy-benzoic acid 4-chloro-phenyl ester

Downstream raw materials:

dibenzofuran

2-Phenylphenol

1,4-dihydro-dibenzofuran

dibenzo[b,d]furan-3-carboxylic acid

Refernces

• 1、 -. "Synthesis process of dibenzofuran derivatives". Paragraph 0032; 0033. . Retrieved 2018/09/26.
• 2、 Maetani, Shinji,Fukuyama, Takahide,Ryu, Ilhyong. "Rhodium-catalyzed decarbonylative C-H arylation of 2-aryloxybenzoic acids leading to dibenzofuran derivatives". supporting information. p. 2754 - 2757. Retrieved 2013/07/19.