2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole

Base Information

• Chemical Name: 2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole
• CAS No.: 87999-04-0
• Molecular Formula: C13H14 N2 S
• Molecular Weight: 230.33
• Hs Code.: 2934100090
• European Community (EC) Number: 635-824-5
• DSSTox Substance ID: DTXSID40352737
• Nikkaji Number: J600.687F
• Wikidata: Q82130044
• ChEMBL ID: CHEMBL1479449
• Mol file: 87999-04-0.mol

Synonyms:87999-04-0;2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole;4-(5,6,7,8-Tetrahydro-naphthalen-2-yl)thiazol-2-ylamine;4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine;4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-amine;MFCD01804671;4-(5,6,7,8-Tetrahydro-aphthalen-2-yl)thiazol-2-ylamine;4-(1,2,3,4-Tetrahydronaphthalen-6-yl)thiazol-2-amine;4-(5,6,7,8-tetrahydro-naphthalen-2-yl)-thiazol-2-ylamine;Enamine_005054;MLS000098341;SCHEMBL7230888;CHEMBL1479449;DTXSID40352737;XCDNQJNJCJJQEC-UHFFFAOYSA-N;HMS1408F16;HMS2343A12;BBL020183;STK887558;AKOS000116037;WAY-387288;IDI1_007641;SMR000062505;VS-07080;BB 0217757;FT-0642078;EN300-02766;A842435;Z48847619;F3099-5549;2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole, 97%;2-amino-4-(5,6,7,8-tetrahydro-naphthalin-2-yl)-thiazole;4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-ylamine;4-(5,6,7,8-tetrahydro-2-naphthalenyl)-1,3-thiazol-2-amine

Chemical Property of 2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole

Chemical Property:

• Vapor Pressure: 8.88E-08mmHg at 25°C
• Melting Point: 105-110℃
• Boiling Point: 435.3°C at 760 mmHg
• PKA: 4.53±0.10(Predicted)
• Flash Point: 217°C
• PSA: 67.15000
• Density: 1.234g/cm³
• LogP: 3.85230
• Sensitive.: Moisture & Light Sensitive
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.08776963
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

97% ^*data from raw suppliers

4-(5,6,7,8-Tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)N

Technology Process of 2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole

There total 4 articles about 2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole 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: 60.0%

→ 2-amino-4-(5,6,7,8-tetrahydro-2-naphthyl)-thiazole (87999-04-0)

Guidance literature:

In ethanol; for 2h; Reflux; Inert atmosphere;

Reference yield:

tetralin (119-64-2) → 2-amino-4-(5,6,7,8-tetrahydro-2-naphthyl)-thiazole (87999-04-0)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / CH₂Cl₂ / 1.) reflux, 7 h, 2.) RT, overnight

2: ethanol / 1 h / Heating

With aluminium trichloride; In ethanol; dichloromethane;

DOI:10.1021/jm00362a014

Reference yield:

2-chloro-1-(5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone (5803-67-8) + thiourea (17356-08-0) → 2-amino-4-(5,6,7,8-tetrahydro-2-naphthyl)-thiazole (87999-04-0)

Guidance literature:

In ethanol; for 1h; Heating;

DOI:10.1021/jm00362a014

upstream raw materials:

6-Acetyl-1,2,3,4-tetrahydronaphthalene

thiourea

2-chloro-1-(5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone

tetralin