2-Dibenzothiophenebutanoic acid

Base Information

• Chemical Name: 2-Dibenzothiophenebutanoic acid
• CAS No.: 91034-92-3
• Molecular Formula: C16H14O2S
• Molecular Weight: 270.3462
• European Community (EC) Number: 623-282-2
• NSC Number: 171720
• DSSTox Substance ID: DTXSID20305822
• Wikidata: Q82052569
• Mol file: 91034-92-3.mol

Synonyms:2-Dibenzothiophenebutanoic acid;91034-92-3;SCHEMBL9193177;DTXSID20305822;4-(2-dibenzothienyl)butyric acid;NSC171720;2-DIBENZOTHIOPHENEBUTYRIC ACID;AKOS024338516;NSC-171720

Chemical Property of 2-Dibenzothiophenebutanoic acid

Chemical Property:

• Vapor Pressure: 3.23E-10mmHg at 25°C
• Boiling Point: 485°Cat760mmHg
• Flash Point: 247.1°C
• Density: 1.302g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 270.07145086
• Heavy Atom Count: 19
• Complexity: 331

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)CCCC(=O)O

Technology Process of 2-Dibenzothiophenebutanoic acid

There total 6 articles about 2-Dibenzothiophenebutanoic acid 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: 58.0%

β-(dibenzothiophene-2-carbonyl)propionic acid (88878-79-9) → 4-(dibenzo[b,d]thiophen-2-yl)butanoic acid (91034-92-3)

Guidance literature:

With hydrogenchloride; zinc amalgam; In water; toluene; for 40h; Reflux;

DOI:10.1111/php.13175

Reference yield:

dibenzothiophene (132-65-0) → 4-(dibenzo[b,d]thiophen-2-yl)butanoic acid (91034-92-3)

Guidance literature:

Multi-step reaction with 2 steps

1: nitrobenzene; 1,2-dichloro-ethane

2: aqueous hydrazine hydrate; potassium hydroxide; diethylene glycol / 200 °C

With potassium hydroxide; hydrazine hydrate; nitrobenzene; 1,2-dichloro-ethane; diethylene glycol;

Reference yield:

biphenyl (92-52-4,1594-86-1) → 4-(dibenzo[b,d]thiophen-2-yl)butanoic acid (91034-92-3)

Guidance literature:

Multi-step reaction with 3 steps

1: aluminium chloride; sulfur

2: nitrobenzene; 1,1,2,2-tetrachloro-ethane

3: amalgamated zinc; aqueous hydrochloric acid; toluene

With hydrogenchloride; aluminium trichloride; amalgamated zinc; sulfur; nitrobenzene; toluene; 1,1,2,2-tetrachloroethane;

DOI:10.1021/jo01219a003

upstream raw materials:

β-(dibenzothiophene-2-carbonyl)propionic acid

dibenzothiophene

1,2,3,4-tetrahydrodibenzothiophene

2,3-dihydrodibenzo[b,d]thiophen-4(1H)-one

Downstream raw materials:

9,10-dihydro-8H-benzo[b]naphtho[2,3-d]thiophen-7-one

6-phenyl-3,4-dihydronaphthalene-1(2H)-one

4-(2-Biphenyl-3-yl-ethyl)-7-phenyl-1,2-dihydro-naphthalene

1-<2-(1-Naphthyl)aethyl>-6-phenyl-3.4-dihydronaphthalin