4,4a,5,6-Tetrahydro-2(3H)-naphthalenone

Base Information

• Chemical Name: 4,4a,5,6-Tetrahydro-2(3H)-naphthalenone
• CAS No.: 34545-87-4
• Molecular Formula: C10H12O
• Molecular Weight: 148.2017
• NSC Number: 126325
• DSSTox Substance ID: DTXSID10298810
• Mol file: 34545-87-4.mol

Synonyms:4,4a,5,6-Tetrahydro-2(3H)-naphthalenone;34545-87-4;4,4a,5,6-Tetrahydronaphthalen-2(3H)-one;NSC126325;SCHEMBL10434273;DTXSID10298810;NSC-126325;2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-;4,4a,5,6-Tetrahydro-2(3H)-naphthalenone #

Chemical Property of 4,4a,5,6-Tetrahydro-2(3H)-naphthalenone

Chemical Property:

• Vapor Pressure: 0.00128mmHg at 25°C
• Boiling Point: 298.3°Cat760mmHg
• Flash Point: 114.3°C
• Density: 1.05g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2CCC(=O)C=C2C=C1

Technology Process of 4,4a,5,6-Tetrahydro-2(3H)-naphthalenone

There total 4 articles about 4,4a,5,6-Tetrahydro-2(3H)-naphthalenone 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: 77.0%

1,4,5,8-tetrahydro-2-methoxynaphthalene (68837-63-8) → 4,4a,5,6-tetrahydro-2(3H)-naphthalenone (34545-87-4)

Guidance literature:

With perchloric acid; In tetrahydrofuran; for 5h; Ambient temperature;

DOI:10.1021/ja00011a036

Reference yield:

2-Methoxynaphthalene (93-04-9) → 4,4a,5,6-tetrahydro-2(3H)-naphthalenone (34545-87-4)

Guidance literature:

With perchloric acid; ethanol; ammonia; sodium; Yield given. Multistep reaction; 2.) THF, 5 h;

DOI:10.1002/recl.19931120401

Reference yield:

8-Bromo-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one → 4,4a,5,6-tetrahydro-2(3H)-naphthalenone (34545-87-4)

Guidance literature:

With lithium carbonate; lithium bromide; In water; N,N-dimethyl-formamide; at 70 ℃; for 2.5h; Yield given;

DOI:10.1016/0040-4020(95)00575-S

upstream raw materials:

1,4,5,8-tetrahydro-2-methoxynaphthalene

2-Methoxy-3.4.5.8-tetrahydronaphthalin

2-Methoxynaphthalene

Downstream raw materials:

((2R,4aR)-7-Oxo-2,3,4,4a,5,6,7,8-octahydro-naphthalen-2-yl)-phenyl-trimethylsilanyloxy-acetonitrile