6-Butyltetralin

Base Information

• Chemical Name: 6-Butyltetralin
• CAS No.: 30654-45-6
• Molecular Formula: C14H20
• Molecular Weight: 188.313
• Hs Code.: 2902909090
• NSC Number: 130251
• DSSTox Substance ID: DTXSID00952914
• Nikkaji Number: J1.826.123E
• Wikidata: Q82931632
• Mol file: 30654-45-6.mol

Synonyms:6-Butyltetralin;6-Butyl-1,2,3,4-tetrahydronaphthalene;30654-45-6;6-n-Butyltetralin;Naphthalene, 6-butyl-1,2,3,4-tetrahydro-;6-n-Butyl-(1,2,3,4-tetrahydronaphthalene);6-BUTYL[1,2,3,4-TETRAHYDRONAPHTHALENE];NSC130251;tetralin, 6-butyl-;DTXSID00952914;OOPPKRUACFCVFK-UHFFFAOYSA-N;AKOS006293095;NSC-130251;6-n-Butyl-[1,3,4-tetrahydronaphthalene];Naphthalene, 1,2,3,4-tetrahydro-6-butyl

Chemical Property of 6-Butyltetralin

Chemical Property:

• Vapor Pressure: 0.00571mmHg at 25°C
• Boiling Point: 282.5°Cat760mmHg
• Flash Point: 125.7°C
• PSA: 0.00000
• Density: 0.931g/cm³
• LogP: 3.90800
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 188.156500638
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC2=C(CCCC2)C=C1

Technology Process of 6-Butyltetralin

There total 3 articles about 6-Butyltetralin 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:

anthracene (120-12-7) → 6-n-butyltetralin (30654-45-6) + 1,2,3,4-tetrahydroanthracene (2141-42-6) + 1,2,3,4,5,6,7,8-octahydroanthracene (1079-71-6) + tetradecahydroanthracene (6596-35-6)

Guidance literature:

With hydrogen; tetra-n-propyl-diborane; at 200 ℃; for 3h; under 67505.4 Torr; Further byproducts given. Title compound not separated from byproducts;

Reference yield:

anthracene (120-12-7) → 6-n-butyltetralin (30654-45-6) + 1,2,3,4,5,6,7,8-octahydroanthracene (1079-71-6) + cis-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (64363-88-8) + (4aRS,9aRS)-1,2,3,4,4a,9,9a,10-octahydroanthracene (77341-12-9)

Guidance literature:

With hydrogen; tetra-n-propyl-diborane; at 200 ℃; for 4.5h; under 67505.4 Torr; Further byproducts given. Title compound not separated from byproducts;

Reference yield:

2,5-dibutylbenzenediazonium ion → 6-n-butyltetralin (30654-45-6) + 6-butyl-1-methylindane (78210-27-2) + 1-(4-butylphenyl)-2-butanol (78210-28-3) + 2,5-dibutylphenol (69801-04-3)

Guidance literature:

With sulfuric acid; Yield given. Further byproducts given. Yields of byproduct given; Heating;

upstream raw materials:

anthracene

Refernces

• 1、 Sikkar, Rein,Martinson, Per. "Synthesis and Dediazoniation of 2-Butyl- and 2,5-Dibutylbenzenediazonium Ions". . p. 551 - 558. Retrieved 2007/10/02.