5-Hydroxy-1-tetralone

Base Information

• Chemical Name: 5-Hydroxy-1-tetralone
• CAS No.: 28315-93-7
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 29145090
• European Community (EC) Number: 248-958-0
• UNII: 8605DD71BS
• DSSTox Substance ID: DTXSID0057700
• Nikkaji Number: J208.595J
• Wikidata: Q72481948
• ChEMBL ID: CHEMBL3561186
• Mol file: 28315-93-7.mol

Synonyms:1,2,3,4-tetrahydro-1-oxo-5-hydroxynaphthalene;5-hydroxy-1-tetralone

Chemical Property of 5-Hydroxy-1-tetralone

Chemical Property:

• Appearance/Colour: yellowish crystalline powder
• Vapor Pressure: 0.000122mmHg at 25°C
• Melting Point: 206-209 °C(lit.)
• Refractive Index: 1.602
• Boiling Point: 325.3 °C at 760 mmHg
• PKA: 9.37±0.20(Predicted)
• Flash Point: 138.1 °C
• PSA: 37.30000
• Density: 1.236 g/cm³
• LogP: 1.91120
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in alcohol, ether, benzene and acetic acid.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99.0% ^*data from raw suppliers

5-Hydroxy-1-tetralone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC2=C(C=CC=C2O)C(=O)C1
• Uses: A metabolite of Levobunolol (L335000) and d-Bunolol (L335010). 5-Hydroxy-1-tetralone, is used as a metabolite of Levobunolol (L335000) and d-Bunolol (L335010). It is also used as a reagent for the determination of hexoses and oligosaccharides by a fluorescence technique. A reagent that is used for fluorescence determination of enzyme activity. Some of the other applications include as internal standard during HPLC determination of 4-hydroxymephenytoin (4-OH-M) in human urine, as fluorescent labeling reagent during micro detection of glycosphingolipid on TLC plates, in synthesis of 1,2,3,4-tetrahydro-5H-1-benzazepine-quinone derivatives, in synthesis of new chiral oxathiane.

Technology Process of 5-Hydroxy-1-tetralone

There total 11 articles about 5-Hydroxy-1-tetralone 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: 96.0%

1,2,3,4-tetrahydro-1,5-dihydroxy-naphthalene (40771-26-4) → 5-Hydroxy-1-tetralone (28315-93-7)

Guidance literature:

With tert.-butylhydroperoxide; zircornium(IV) n-propoxide; In dichloromethane; at 20 ℃; for 18h;

Reference yield: 88.0%

1,5-dihydroxynaphthalene (83-56-7) → 5-Hydroxy-1-tetralone (28315-93-7)

Guidance literature:

With aluminum tri-bromide; cyclohexane; In various solvent(s); at 25 ℃; for 48h;

Reference yield: 85.0%

5-Methoxy-1-tetralone (33892-75-0) → 5-Hydroxy-1-tetralone (28315-93-7)

Guidance literature:

With hydrogen bromide; acetic acid; for 0.75h; Heating;

DOI:10.1080/00397919208019261

upstream raw materials:

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

5-Methoxy-1-tetralone

1,2,3,4-tetrahydro-1,5-dihydroxy-naphthalene

3,4-dihydronaphthalene-1(2H)-one

Downstream raw materials:

5-Phenoxy-3,4-dihydro-2H-naphthalen-1-one oxime

5-Benzyloxy-3,4-dihydro-2H-naphthalen-1-one oxime

C₂₁H₂₅NO₄S

C₂₃H₂₁NO₄S

Refernces

• 1、 He, Guoxue,Ma, Jinyu,Zhou, Jianhui,Li, Chunpu,Liu, Hong,Zhou, Yu. "A metal-free method for the facile synthesis of indanonesviathe intramolecular hydroacylation of 2-vinylbenzaldehyde". supporting information. p. 1036 - 1040. Retrieved 2021/02/09.
• 2、 Mehl, Lea-Marina,Maier, Martin E.. "A Radical-Based Synthesis of Lingzhiol". supporting information. p. 9844 - 9850. Retrieved 2017/09/23.