Naphtho[2,1-d]thiazol-2(3H)-one

Base Information

• Chemical Name: Naphtho[2,1-d]thiazol-2(3H)-one
• CAS No.: 17931-24-7
• Molecular Formula: C₁₁H₇NOS
• Molecular Weight: 201.249
• DSSTox Substance ID: DTXSID60423216
• Wikidata: Q82235371
• Mol file: 17931-24-7.mol

Synonyms:Naphtho[2,1-d]thiazol-2(3H)-one;17931-24-7;3H-benzo[g][1,3]benzothiazol-2-one;Naphtho[2,1-d]thiazol-2(3H)-one (9CI);SCHEMBL6272951;naphtho[2,1-d]thiazoline-2-on;DTXSID60423216;VKMBJEVQTGGMGN-UHFFFAOYSA-N;naphtho[2,1-d][1,3]thiazol-2-ol;A919329

Chemical Property of Naphtho[2,1-d]thiazol-2(3H)-one

Chemical Property:

• PSA: 61.36000
• LogP: 3.15510
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 201.02483502
• Heavy Atom Count: 14
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

Naphtho[2,1-d]thiazol-2(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2SC(=O)N3

Technology Process of Naphtho[2,1-d]thiazol-2(3H)-one

There total 10 articles about Naphtho[2,1-d]thiazol-2(3H)-one 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: 91.0%

carbon dioxide (124-38-9,18923-20-1) + naphthalen-2-ylamine (91-59-8) → naphtho[2,1-d]thiazol-2(3H)-one (17931-24-7)

Guidance literature:

With potassium tert-butylate; sulfur; In acetonitrile; at 70 ℃; for 8h; under 11251.1 Torr; Autoclave;

DOI:10.1016/j.inoche.2021.108590

Reference yield: 89.0%

carbon dioxide (124-38-9,18923-20-1) + naphthalen-2-yl-carbamic acid tert-butyl ester (454713-45-2) → naphtho[2,1-d]thiazol-2(3H)-one (17931-24-7)

Guidance literature:

With sulfur; sodium t-butanolate; In 1,4-dioxane; at 140 ℃; for 24h; under 760.051 Torr; Schlenk technique; Sealed tube;

DOI:10.1039/d0gc03723k

Reference yield: 87.0%

carbon dioxide (124-38-9,18923-20-1) + 2-aminonaphthalene-1-thiol (53338-20-8) → naphtho[2,1-d]thiazol-2(3H)-one (17931-24-7)

Guidance literature:

With sulfur; sodium t-butanolate; In 1,4-dioxane; at 140 ℃; for 24h; under 760.051 Torr; Schlenk technique; Sealed tube;

DOI:10.1039/d0gc03723k

upstream raw materials:

2-chloronaphtho<2,1-d>thiazole

2-aminonaphthalene-1-thiol

urea

N,N'-di(2-naphthyl)thiourea

Downstream raw materials:

2-chloronaphtho<2,1-d>thiazole