Benzo[b]thiophen-3(2H)-one, 2-(phenylimino)-

Base Information

• Chemical Name: Benzo[b]thiophen-3(2H)-one, 2-(phenylimino)-
• CAS No.: 88690-93-1
• Molecular Formula: C14H9NOS
• Molecular Weight: 239.298
• DSSTox Substance ID: DTXSID80361121
• ChEMBL ID: CHEMBL2094357

Synonyms:Benzo[b]thiophen-3(2H)-one, 2-(phenylimino)-;Oprea1_636395;88690-93-1;CHEMBL2094357;DTXSID80361121;DNDI1416974;AKOS024364118;SR-01000390542;(2E)-2-(phenylimino)-1-benzothiophen-3(2H)-one;SR-01000390542-1

Chemical Property of Benzo[b]thiophen-3(2H)-one, 2-(phenylimino)-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 239.04048508
• Heavy Atom Count: 17
• Complexity: 333

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=C2C(=O)C3=CC=CC=C3S2

Technology Process of Benzo[b]thiophen-3(2H)-one, 2-(phenylimino)-

There total 2 articles about Benzo[b]thiophen-3(2H)-one, 2-(phenylimino)- 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:

aniline (62-53-3) → 2-(phenylimino)benzo-thiophen-3-(2H)-one (88690-93-1)

Guidance literature:

With ethanol; sodium acetate;

Reference yield:

3-hydroxybenzothiophene (520-72-9) + Nitrosobenzene (586-96-9) → 2-(phenylimino)benzo-thiophen-3-(2H)-one (88690-93-1)

Guidance literature:

With sodium hydroxide;

Reference yield: 90.0%

2-(phenylimino)benzo-thiophen-3-(2H)-one (88690-93-1) + triethyl phosphate (78-40-0) → Phosphoric acid diethyl ester 2-phenylamino-benzo[b]thiophen-3-yl ester

Guidance literature:

With acetic acid; for 3h; Heating;

upstream raw materials:

3-hydroxybenzothiophene

Nitrosobenzene

aniline

Downstream raw materials:

trans-thioindigo

2-(2-oxo-acenaphthen-1-ylidene)-benzo[b]thiophen-3-one

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