2-tert-Butylnaphthalene

Base Information

• Chemical Name: 2-tert-Butylnaphthalene
• CAS No.: 2876-35-9
• Molecular Formula: C14H16
• Molecular Weight: 184.281
• Hs Code.: 2902909090
• NSC Number: 91462
• DSSTox Substance ID: DTXSID90182945
• Nikkaji Number: J99.432D
• Wikidata: Q83053671
• Mol file: 2876-35-9.mol

Synonyms:2-tert-Butylnaphthalene;2876-35-9;Naphthalene, 2-(1,1-dimethylethyl)-;Naphthalene, 2-tert-butyl-;2-tert-butyl-naphthalene;.beta.-tert-Butylnaphthalene;2-(1,1-Dimethylethyl)naphthalene;NSC91462;2-t-butylnaphthalene;NCIOpen2_001454;DTXSID90182945;2-(TERT-BUTYL)NAPHTHALENE;MCEORGGPAKTORV-UHFFFAOYSA-N;NSC 91462;NSC-91462;AKOS006274011;InChI=1/C14H16/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H

Chemical Property of 2-tert-Butylnaphthalene

Chemical Property:

• Vapor Pressure: 0.00707mmHg at 25°C
• Melting Point: -5°C
• Refractive Index: 1.5740
• Boiling Point: 278.8°Cat760mmHg
• Flash Point: 121.6°C
• PSA: 0.00000
• Density: 0.968g/cm³
• LogP: 4.13730
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 184.125200510
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

2-TERT-BUTYLNAPHTHALENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=CC=CC=C2C=C1

Technology Process of 2-tert-Butylnaphthalene

There total 21 articles about 2-tert-Butylnaphthalene 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: 77.0%

2-bromonaphthalene (580-13-2) + tert-butylmagnesium chloride (677-22-5) → naphthalene (91-20-3,71998-51-1,72931-45-4) + 2-tert-butylnaphthalene (2876-35-9)

Guidance literature:

With 1.54H₂O*Cl₂Ni; 1,3-bis(cyclohexyl)imidazolium tetrafluoroborate; In tetrahydrofuran; at -10 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/ja202769t

Reference yield: 71.0%

2-bromonaphthalene (580-13-2) + tert-butylmagnesium bromide (2259-30-5) → naphthalene (91-20-3,71998-51-1,72931-45-4) + 2-tert-butylnaphthalene (2876-35-9)

Guidance literature:

With [polymer-incarcerated nickel nanocatalyst] PICB-NHC-Ni (0.25 mol % as Ni); In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1021/ja404006w

Reference yield: 26.0%

2-chloronaphthalene (91-58-7) + tert.-butyl lithium (594-19-4) → 2,2'-binaphthalene (612-78-2) + 2-iso-butylnaphthalene (26490-07-3) + 2-tert-butylnaphthalene (2876-35-9)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In hexane; at 25 ℃; for 5h; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.201801713

upstream raw materials:

naphthalene

tert-butyl alcohol

2-methyl-propan-1-ol

boron trifluoride

Downstream raw materials:

naphthalene

2,2'-binaphthalene

2-tert-butyl-1,4-naphthoquinone

maleic anhydride