4-Mercaptodibenzofuran

Base Information

• Chemical Name: 4-Mercaptodibenzofuran
• CAS No.: 42137-80-4
• Molecular Formula: C12H8OS
• Molecular Weight: 200.261
• DSSTox Substance ID: DTXSID90521830
• Wikidata: Q82386580

Synonyms:Dibenzo[b,d]furan-4-thiol;42137-80-4;4-mercaptodibenzofuran;SCHEMBL9349902;DTXSID90521830

Chemical Property of 4-Mercaptodibenzofuran

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 200.02958605
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Mercaptodibenzofuran

There total 2 articles about 4-Mercaptodibenzofuran 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:

thiophenol (108-98-5) + (S)-2-[(R)-2-tert-Butoxycarbonylamino-3-(dibenzofuran-4-yldisulfanyl)-propionylamino]-propionic acid 4-nitro-benzyl ester (114518-90-0) → dibenzo[b,d]furan-4-thiol (42137-80-4) + 4-Phenyldisulfanyl-dibenzofuran + Boc-Cys-Ala-ONBzl + (S)-2-((R)-2-tert-Butoxycarbonylamino-3-phenyldisulfanyl-propionylamino)-propionic acid 4-nitro-benzyl ester (114518-91-1)

Guidance literature:

In dimethyl sulfoxide; at 25 ℃; Mechanism; Rate constant; Product distribution;

DOI:10.1016/S0040-4039(00)96584-5

Reference yield:

(S)-2-[(R)-2-tert-Butoxycarbonylamino-3-(dibenzofuran-4-yldisulfanyl)-propionylamino]-propionic acid 4-nitro-benzyl ester (114518-90-0) + phenylmethanethiol (100-53-8) → dibenzo[b,d]furan-4-thiol (42137-80-4) + 4-Benzyldisulfanyl-dibenzofuran + Boc-Cys-Ala-ONBzl + (S)-2-((R)-3-Benzyldisulfanyl-2-tert-butoxycarbonylamino-propionylamino)-propionic acid 4-nitro-benzyl ester (114518-92-2)

Guidance literature:

In dimethyl sulfoxide; at 25 ℃; Mechanism; Rate constant; Product distribution;

DOI:10.1016/S0040-4039(00)96584-5

Reference yield: 36.0%

dibenzo[b,d]furan-4-thiol (42137-80-4) + 1-bromo-2,6-difluorobenzene (64248-56-2) + 3-bromoselenophenol → C24H13Br3OSSe

Guidance literature:

With potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 150 ℃; for 10h; Inert atmosphere;

upstream raw materials:

thiophenol

(S)-2-[(R)-2-tert-Butoxycarbonylamino-3-(dibenzofuran-4-yldisulfanyl)-propionylamino]-propionic acid 4-nitro-benzyl ester

phenylmethanethiol

Downstream raw materials:

4-<carbonyl>-N-methyl-γ-aminobutyryl>thio>dibenzofuran

p-nitrobenzyl ester of rac. α-(4-dibenzofurylthio)-propionic acid

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