1-Isopropylnaphthalene

Base Information

• Chemical Name: 1-Isopropylnaphthalene
• CAS No.: 6158-45-8
• Deprecated CAS: 155421-57-1
• Molecular Formula: C13H14
• Molecular Weight: 170.254
• Hs Code.: 2902909090
• European Community (EC) Number: 249-535-3,228-177-1
• NSC Number: 141329
• UNII: WIH259CGZ2
• DSSTox Substance ID: DTXSID70865481
• Nikkaji Number: J211.424K
• Wikidata: Q82854637
• Mol file: 6158-45-8.mol

Synonyms:1-isopropylnaphthalene

Chemical Property of 1-Isopropylnaphthalene

Chemical Property:

• Melting Point: -16°C(lit.)
• Refractive Index: 1.5920-1.5950
• Boiling Point: 268 °C
• PSA: 0.00000
• Density: 0,99 g/cm3
• LogP: 3.96320
• Storage Temp.: 0-10°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 170.109550447
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

99.0% ^*data from raw suppliers

1-Isopropylnaphthalene >85.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC2=CC=CC=C21

Technology Process of 1-Isopropylnaphthalene

There total 49 articles about 1-Isopropylnaphthalene 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: 99.0%

2-(naphthalen-1-yl)propan-2-yl formate → 1-isopropylnaphthalene (6158-45-8)

Guidance literature:

With triethylsilane; C₁₉H₃BF₁₄; In dichloromethane; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201902082

Reference yield: 98.0%

1-isopropyl-1,4-dihydronaphthalene-1-carboxylic acid (1202873-28-6) → 1-isopropylnaphthalene (6158-45-8)

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1002/chem.200901774

Reference yield: 97.0%

1-(propen-2-yl)naphthalene (1855-47-6) → 1-isopropylnaphthalene (6158-45-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; at 20 ℃; for 12h; under 760.051 Torr;

DOI:10.2174/1573406412666160915163002

upstream raw materials:

naphthalene

toluene-4-sulfonic acid isopropyl ester

1-(propen-2-yl)naphthalene

2-(naphthalen-1-yl)propan-2-ol

Downstream raw materials:

2,6-diisopropylnaphthalene

2,7-diisopropylnaphthalene

6-Hydroxy-2-naphthoic acid

1-(propen-2-yl)naphthalene

Refernces

• 1、 Piontek, Aleksandra,Och?dzan-Siod?ak, Wioletta,Bisz, Elwira,Szostak, Michal. "Cobalt?NHC Catalyzed C(sp2)?C(sp3) and C(sp2)?C(sp2) Kumada Cross-Coupling of Aryl Tosylates with Alkyl and Aryl Grignard Reagents". . p. 202 - 206. Retrieved 2020/12/01.
• 2、 Dilchert, Katharina,Gessner, Viktoria H.,Gro?johann, Angela,Rodstein, Ilja,Scherpf, Thorsten,Steinert, Henning,Tappen, Jens. "Efficient Pd-Catalyzed Direct Coupling of Aryl Chlorides with Alkyllithium Reagents". supporting information. p. 20596 - 20603. Retrieved 2020/09/09.