1-(3-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Base Information

• Chemical Name: 1-(3-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
• CAS No.: 40420-05-1
• Molecular Formula: C12H14 O2
• Molecular Weight: 190.242
• Hs Code.: 2914409000
• DSSTox Substance ID: DTXSID00449213
• Wikidata: Q82268611
• Mol file: 40420-05-1.mol

Synonyms:40420-05-1;1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;6-ACETYL-7-HYDROXYTETRALIN;1-(3-HYDROXY-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-ETHANONE;1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one;SCHEMBL4041645;DTXSID00449213;LNZONKXKXBWZDQ-UHFFFAOYSA-N;AB1014;MFCD06658290;AKOS006283419;SB37067;NCGC00328584-01;5,6,7,8-tetrahydro-3-acetyl-2-naphthol;BB 0260550;CS-0217129;FT-0727057;EN300-68638;AB01321630-02;A825095;6-acetyl-7-hydroxy-1,2,3,4-tetrahydronaphthalene;7-acetyl-1,2,3,4-tetrahydro-6-hydroxynaphthalene;Z1083217756;1-(3-hydroxy-5,6,7,8-tetrahydro-2-naphthalenyl)ethanone;1-(3-oxidanyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Chemical Property of 1-(3-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Chemical Property:

• PSA: 37.30000
• LogP: 2.47360
• Storage Temp.: 2-8°C
• 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

6-Acetyl-7-hydroxytetralin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C2CCCCC2=C1)O

Technology Process of 1-(3-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

There total 11 articles about 1-(3-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: 97.0%

5,6,7,8-tetrahydronaphthalen-2-yl acetate (89228-44-4) → 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (40420-05-1)

Guidance literature:

With zirconium(IV) chloride; In dichloromethane; for 48h; Ambient temperature;

DOI:10.1016/0040-4039(96)01706-6

Reference yield: 93.0%

7-Acetyl-6-methoxy-1,2,3,4-tetrahydronaphthalene (40420-04-0) → 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (40420-05-1)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 2h; Ambient temperature;

Reference yield: 90.0%

3-(6-oxo-cyclohex-1-enylmethyl)pentane-2,4-dione (199382-85-9) → 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (40420-05-1)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 2h; Reflux;

DOI:10.3184/030823409X12532103537360

upstream raw materials:

5,6,7,8-tetrahydronaphthalen-2-yl acetate

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

5,6,7,8-Tetrahydro-2-naphthol

acetic anhydride

Downstream raw materials:

2-benzyloxy-3-acetyl-5,6,7,8-tetrahydronaphthalene