5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenesulfonyl chloride

Base Information

• Chemical Name: 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenesulfonyl chloride
• CAS No.: 132392-26-8
• Molecular Formula: C14H19ClO2S
• Molecular Weight: 286.82
• DSSTox Substance ID: DTXSID60383689
• Wikidata: Q82175478
• Mol file: 132392-26-8.mol

Synonyms:132392-26-8;5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenesulfonyl chloride;5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride;5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-sulfonyl Chloride;2-Naphthalenesulfonyl chloride, 5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-;SCHEMBL1022290;DTXSID60383689;GS3099;MFCD04115384;AKOS004115503;6-METHYL-2-PYRIDINEPROPANOL,98;MS-22201;FT-0737194;EN300-272552;J-516465;5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalen sulfonyl chloride;5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-sulfonylchloride;5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-sulfonyl chloride;5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenesulfonyl chloride, AldrichCPR;5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENESULFONYLCHLORIDE

Chemical Property of 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 4.42E-05mmHg at 25°C
• Melting Point: 78 °C
• Refractive Index: 1.515
• Boiling Point: 361.1°Cat760mmHg
• Flash Point: 172.2°C
• PSA: 42.52000
• Density: 1.148g/cm³
• LogP: 5.04390
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 286.0794287
• Heavy Atom Count: 18
• Complexity: 420

Purity/Quality:

98%min ^*data from raw suppliers

5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenesulfonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(C2=C1C=CC(=C2)S(=O)(=O)Cl)(C)C)C

Technology Process of 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenesulfonyl chloride

There total 4 articles about 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenesulfonyl chloride 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: 98.0%

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene (6683-46-1) → 5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-sulfonyl chloride (132392-26-8)

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at 0 ℃; for 1h;

Reference yield:

2,5-dimethyl-2,5-hexanediol (110-03-2) → 5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-sulfonyl chloride (132392-26-8)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / water / 0.25 h

2: aluminum (III) chloride / 16 h / Reflux; Inert atmosphere

3: chlorosulfonic acid / 2 h / 10 - 20 °C

With hydrogenchloride; chlorosulfonic acid; aluminum (III) chloride; In water;

Reference yield:

2,5-dichloro-2,5-dimethyl hexane (6223-78-5) → 5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-sulfonyl chloride (132392-26-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / 16 h / Reflux; Inert atmosphere

2: chlorosulfonic acid / 2 h / 10 - 20 °C

With chlorosulfonic acid; aluminum (III) chloride;

upstream raw materials:

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

2,5-dichloro-2,5-dimethyl hexane

2,5-dimethyl-2,5-hexanediol

Downstream raw materials:

4-[Hydroxy-(5,5,8,8-tetramethyl-4-oxo-3,4,5,6,7,8-hexahydro-2H-1-thia-anthracen-3-yl)-methyl]-benzoic acid methyl ester

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