Tetralin hydroperoxide

Base Information

• Chemical Name: Tetralin hydroperoxide
• CAS No.: 771-29-9
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• European Community (EC) Number: 212-230-0
• DSSTox Substance ID: DTXSID90903935
• Nikkaji Number: J36.952G
• Wikidata: Q69756874
• Mol file: 771-29-9.mol

Synonyms:Tetralin hydroperoxide;771-29-9;1,2,3,4-Tetrahydro-1-hydroperoxynaphthalene;1,2,3,4-Tetrahydro-1-naphthyl hydroperoxide;Tetralinhydroperoxid;Tetralinhydroperoxid [German];Tetralinehydroperoxyde [Dutch];Tetralinehydroperoxyde;26447-24-5;Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthalenyl;1-hydroperoxy-1,2,3,4-tetrahydronaphthalene;Hydroperoxyde de tetraline [French];EINECS 212-230-0;Hydroperoxyde de tetraline;Idroperossido di tetralina;Idroperossido di tetralina [Italian];AI3-12032;CCRIS 8475;1,2,3,4-tetrahydro-1-naphthalenyl hydroperoxide;Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl-;Tetralin 1-hydroperoxide;Tetralin-1-yl hydroperoxide;SCHEMBL298463;SCHEMBL11577284;DTXSID90903935;NA2136;UN2136;AKOS006276229;LS-77277;Hydroperoxide, 1,2,3,4-tetrahydronaphthyl;FT-0652824;1-hydroperoxy-1,2,3,4-tetrahydro-naphthalene;Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl;Hydroperoxide, 1,2,3,4-tetrahydronaphthalenyl;A818446

Chemical Property of Tetralin hydroperoxide

Chemical Property:

• Vapor Pressure: 0.000132mmHg at 25°C
• Melting Point: 56 °C
• Boiling Point: 310.9°Cat760mmHg
• PKA: 11.30±0.20(Predicted)
• Flash Point: 141.8°C
• PSA: 29.46000
• Density: 1.16g/cm³
• LogP: 2.55360
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL HYDROPEROXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: O,C,N
• Statements: 7-22-34-50/53
• Safety Statements: 3/7-14-26-36/37/39-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C2=CC=CC=C2C1)OO
• Uses: Tetralin hydroperoxide has been prepared by the oxidation of tetralin in the presence of cobalt naphthenate, manganese stearate, and ceric stearate or naphthenate. Tetralin hydroperoxide, produced by the oxidation of tetralin, may be separated from reaction products by formation of its sodium salt. The kinetics of the liquid-phase oxidation of tetralin have been studied . Chen and Lin used tetralin hydroperoxide as an intermediate in the hydroxylation of tetralin to tetralol in rat liver homogenate.

Technology Process of Tetralin hydroperoxide

There total 14 articles about Tetralin hydroperoxide 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%

tetralin (119-64-2) → 1,2,3,4-tetrahydro-1-naphthyl hydroperoxide (771-29-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); oxygen; at 60 ℃; for 48h;

DOI:10.1021/ja00533a028

Reference yield: 67.7%

1,2,3,4-tetrahydronaphthalene-d → 1,2,3,4-tetrahydro-1-naphthyl hydroperoxide (771-29-9) + C10H11(2)HO2 + (α-D)-α-Tetralinhydroperoxid

Guidance literature:

With 2,2'-azobis(isobutyronitrile); oxygen; In benzene-d6; at 65 ℃; for 6h; Kinetics;

DOI:10.1021/ja511434j

Reference yield: 30.6%

tetralin (119-64-2) → 1,2,3,4-tetrahydro-1-naphthyl hydroperoxide (771-29-9) + 1,2,3,4-Tetrahydro-1-naphthol (529-33-9) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0)

Guidance literature:

With CrMCM-41; oxygen; at 80 ℃; for 14h; under 67506.8 Torr; Pressure; Reagent/catalyst; Solvent; Temperature; Time; Reactivity; Mechanism;

DOI:10.1039/b812137k

upstream raw materials:

tetralin

1,2,3,4-Tetrahydro-1-naphthol

azo-bis-α-tetralin

Downstream raw materials:

1,2,3,4-Tetrahydro-1-naphthol

2-hydroxybenzenebutanoic acid

4-(o-hydroxyphenyl)butanal

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

Refernces

• 1、 Yamada,Kamya. "". . p. 830,831, 832. Retrieved 1978.
• 2、 Acharyya, Shankha S.,Ghosh, Shilpi,Adak, Shubhadeep,Tripathi, Deependra,Bal, Rajaram. "Fabrication of CuCr2O4 spinel nanoparticles: A potential catalyst for the selective oxidation of cycloalkanes via activation of Csp3-H bond". supporting information. p. 145 - 150. Retrieved 2015/01/09.
• 3、 Luz,Leon,Boronat,Llabres I Xamena,Corma. "Selective aerobic oxidation of activated alkanes with MOFs and their use for epoxidation of olefins with oxygen in a tandem reaction". . p. 371 - 379. Retrieved 2013/03/14.