6-[(2-hydroxyethyl)thio]-1H,3H-naphtho[1,8-cd]pyran-1,3-dione

Base Information

• Chemical Name: 6-[(2-hydroxyethyl)thio]-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
• CAS No.: 101139-75-7
• Molecular Formula: C14H10 O4 S
• Molecular Weight: 274.297
• DSSTox Substance ID: DTXSID10381751
• Wikidata: Q82172787
• ChEMBL ID: CHEMBL2323373
• Mol file: 101139-75-7.mol

Synonyms:101139-75-7;6-[(2-hydroxyethyl)thio]-1H,3H-naphtho[1,8-cd]pyran-1,3-dione;8-(2-hydroxyethylsulfanyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione;CHEMBL2323373;1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-[(2-hydroxyethyl)thio]-;SCHEMBL6516581;DTXSID10381751;GYDPRPZFQLDRHM-UHFFFAOYSA-N;BDBM50426844;AKOS024319326;FT-0701642;4-(2-hydroxyethylthio)-1,8-naphthalic anhydride;6-((2-Hydroxyethyl)thio)benzo[de]isochromene-1,3-dione;Methyl1-(5-bromopyridin-2-yl)-5-(2-chlorophenyl)pyrazole-4-carboxylate

Chemical Property of 6-[(2-hydroxyethyl)thio]-1H,3H-naphtho[1,8-cd]pyran-1,3-dione

Chemical Property:

• Melting Point: 187 °C(Solv: ethanol (64-17-5))
• Boiling Point: 546.7±35.0 °C(Predicted)
• PKA: 14.24±0.10(Predicted)
• PSA: 88.90000
• Density: 1.50±0.1 g/cm3(Predicted)
• LogP: 2.23480
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 274.02997997
• Heavy Atom Count: 19
• Complexity: 384

Purity/Quality:

98%min ^*data from raw suppliers

6-[(2-HYDROXYETHYL)THIO]-1H,3H-NAPHTHO[1,8-CD]PYRAN-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)SCCO

Technology Process of 6-[(2-hydroxyethyl)thio]-1H,3H-naphtho[1,8-cd]pyran-1,3-dione

There total 2 articles about 6-[(2-hydroxyethyl)thio]-1H,3H-naphtho[1,8-cd]pyran-1,3-dione 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: 90.0%

p-chloro-1,8-naphthalicanhydride (4053-08-1) + 2-hydroxyethanethiol (60-24-2) → 6-[(2-hydroxyethyl)thio]-1H,3H-benzo[de]isochromene-1,3-dione (101139-75-7)

Guidance literature:

In 2-methoxy-ethanol; for 6h; Heating;

DOI:10.1080/10426500490466328

Reference yield: 80.9%

4-bromo-1,8-naphthalenedicarboxylic anhydride (81-86-7) + 2-hydroxyethanethiol (60-24-2) → 6-[(2-hydroxyethyl)thio]-1H,3H-benzo[de]isochromene-1,3-dione (101139-75-7)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In dimethyl sulfoxide; at 20 - 28 ℃; Inert atmosphere;

Reference yield: 86.0%

benzylamine (100-46-9) + 6-[(2-hydroxyethyl)thio]-1H,3H-benzo[de]isochromene-1,3-dione (101139-75-7) → 2-benzyl-6-(2-hydroxy-ethylsulfanyl)-benzo[de]isoquinoline-1,3-dione

Guidance literature:

In 2-methoxy-ethanol; Heating;

DOI:10.1080/10426500490466328

upstream raw materials:

p-chloro-1,8-naphthalicanhydride

2-hydroxyethanethiol

4-bromo-1,8-naphthalenedicarboxylic anhydride

Downstream raw materials:

C₂₅H₂₅NO₇S₂

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 101139-75-7 6-[(2-HYDROXYETHYL)THIO]-1H,3H-NAPHTHO[1,8-CD]PYRAN-1,3-DIONE

Send

Send

Metric Ton KG G Pound L ML

Send

Send