1-(1-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Base Information

• Chemical Name: 1-(1-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
• CAS No.: 95517-07-0
• Molecular Formula: C12H14 O2
• Molecular Weight: 190.242
• Hs Code.: 2914409000
• European Community (EC) Number: 810-781-7
• DSSTox Substance ID: DTXSID10476792
• Nikkaji Number: J1.905.076I
• Wikidata: Q82308624
• Mol file: 95517-07-0.mol

Synonyms:95517-07-0;6-ACETYL-5-HYDROXYTETRALIN;1-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;1-(1-HYDROXY-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-ETHANONE;1-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one;MFCD06658289;SCHEMBL4906016;DTXSID10476792;1-(5-hydroxytetralin-6-yl)ethanone;AB1013;ZB1798;AKOS006295632;SB40296;BS-33356;methyl?5-oxotetrahydrofuran-2-carboxylate;SY258393;2-Acetyl-5,6,7,8-tetrahydro-1-naphthol;FT-0690582;A845324;W-204129;ETHANONE,1-(5,6,7,8-TETRAHYDRO-1-HYDROXY-2-NAPHTHALENYL)-

Chemical Property of 1-(1-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Chemical Property:

• Melting Point: 46.5-47 °C(Solv: ethanol (64-17-5))
• Boiling Point: 348.9 °C at 760 mmHg
• PKA: 10.78±0.20(Predicted)
• Flash Point: 148.6 °C
• PSA: 37.30000
• Density: 1.156 g/cm³
• LogP: 2.47360
• Water Solubility.: at 25 deg C (mg/L): 1.285e+004
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

1-(1-Hydroxy-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C2=C(CCCC2)C=C1)O

Technology Process of 1-(1-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

There total 5 articles about 1-(1-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone 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: 100.0%

5,6,7,8-tetrahydronaphthalen-1-yl acetate (91028-13-6) → 1-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one (95517-07-0)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-benzene; at 80 ℃; for 12h;

DOI:10.1021/jm060358r

Reference yield: 83.0%

→ 1-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one (95517-07-0)

Guidance literature:

With aluminum (III) chloride; at 135 ℃; for 1h;

Reference yield: 76.0%

5,6,7,8-Tetrahydronaphthalen-1-ol (529-35-1) + acetyl chloride (75-36-5) → 1-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one (95517-07-0)

Guidance literature:

5,6,7,8-Tetrahydronaphthalen-1-ol; With titanium tetrachloride; at 20 ℃;

acetyl chloride; at 20 - 120 ℃; for 1.25h;

DOI:10.1055/s-2003-36822

upstream raw materials:

5,6,7,8-tetrahydronaphthalen-1-yl acetate

diethyl acetylmalonate

1-Ethynylcyclohexan-1-ol

5,6,7,8-Tetrahydronaphthalen-1-ol

Downstream raw materials:

2-chloro-4-hydroxy-3-(5-hydroxytetralin-6-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one potassium salt

1-(1-hydroxy-5,6,7,8-tetrahydro-[2]naphthyl)-3-phenyl-propane-1,3-dione

1-benzyloxy-2-acetyl-5,6,7,8-tetrahydronaphthalene