Naphtho(2,3-d)thiazole, 3a,4,4a,5,6,7,8,8a,9,9a-decahydro-2-phenyl-, (3a-alpha,4a-beta,8a-alpha,9a-alpha)-

Base Information

• Chemical Name: Naphtho(2,3-d)thiazole, 3a,4,4a,5,6,7,8,8a,9,9a-decahydro-2-phenyl-, (3a-alpha,4a-beta,8a-alpha,9a-alpha)-
• CAS No.: 96159-96-5
• Molecular Formula: C₁₇H₂₁NS
• Molecular Weight: 271.426
• DSSTox Substance ID: DTXSID60242161
• Wikidata: Q76423202
• Mol file: 96159-96-5.mol

Synonyms:BRN 5060244;96159-96-5;Naphtho(2,3-d)thiazole, 3a,4,4a,5,6,7,8,8a,9,9a-decahydro-2-phenyl-, (3a-alpha,4a-beta,8a-alpha,9a-alpha)-;DTXSID60242161

Chemical Property of Naphtho(2,3-d)thiazole, 3a,4,4a,5,6,7,8,8a,9,9a-decahydro-2-phenyl-, (3a-alpha,4a-beta,8a-alpha,9a-alpha)-

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 271.13947085
• Heavy Atom Count: 19
• Complexity: 358

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2CC3C(CC2C1)N=C(S3)C4=CC=CC=C4
• Isomeric SMILES: C1CC[C@@H]2C[C@H]3[C@@H](C[C@H]2C1)N=C(S3)C4=CC=CC=C4

Technology Process of Naphtho(2,3-d)thiazole, 3a,4,4a,5,6,7,8,8a,9,9a-decahydro-2-phenyl-, (3a-alpha,4a-beta,8a-alpha,9a-alpha)-

There total 3 articles about Naphtho(2,3-d)thiazole, 3a,4,4a,5,6,7,8,8a,9,9a-decahydro-2-phenyl-, (3a-alpha,4a-beta,8a-alpha,9a-alpha)- 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:

N-((2R,3R,4aR,8aR)-3-Hydroxy-decahydro-naphthalen-2-yl)-thiobenzamide → (3aR,4aR,8aR,9aS)-2-Phenyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-naphtho[2,3-d]thiazole (96159-96-5)

Guidance literature:

With tetraphosphorus decasulfide; sodium carbonate; Yield given. Multistep reaction; 1.) 150 deg C; 2.) reflux, 2 h;

Reference yield:

benzaldehyde (100-52-7) → (3aR,4aR,8aR,9aS)-2-Phenyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-naphtho[2,3-d]thiazole (96159-96-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / S / 3 h / heating in water-bath

2: 1.) P₄S₁₀; 2.) Na₂CO₃ / 1.) 150 deg C; 2.) reflux, 2 h

With tetraphosphorus decasulfide; sodium carbonate; sulfur;

Reference yield:

amino-2β trans-decalinol-3α (3733-26-4,6549-89-9,15875-02-2,29910-43-8,92075-97-3) → (3aR,4aR,8aR,9aS)-2-Phenyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-naphtho[2,3-d]thiazole (96159-96-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / S / 3 h / heating in water-bath

2: 1.) P₄S₁₀; 2.) Na₂CO₃ / 1.) 150 deg C; 2.) reflux, 2 h

With tetraphosphorus decasulfide; sodium carbonate; sulfur;

upstream raw materials:

benzaldehyde

amino-2β trans-decalinol-3α