2,6-Dipropylphenol

Base Information

• Chemical Name: 2,6-Dipropylphenol
• CAS No.: 6626-32-0
• Molecular Formula: C12H18 O
• Molecular Weight: 178.274
• Hs Code.: 2907199090
• NSC Number: 59848
• UNII: FQ8M7865LA
• DSSTox Substance ID: DTXSID10216458
• Nikkaji Number: J141.404F
• Wikidata: Q83092689
• ChEMBL ID: CHEMBL30094
• Mol file: 6626-32-0.mol

Synonyms:2,6-Dipropylphenol;Phenol, 2,6-dipropyl-;6626-32-0;NSC 59848;BRN 2440905;FQ8M7865LA;NSC-59848;3-06-00-02013 (Beilstein Handbook Reference);NSC59848;2,6-Dipropyl-phenol;2,6-di-n-propylphenol;UNII-FQ8M7865LA;CHEMBL30094;SCHEMBL674691;DTXSID10216458;LS-104589

Chemical Property of 2,6-Dipropylphenol

Chemical Property:

• Vapor Pressure: 0.00984mmHg at 25°C
• Melting Point: 27°C
• Refractive Index: 1.5091 (estimate)
• Boiling Point: 256°C at 760 mmHg
• Flash Point: 119.9°C
• PSA: 20.23000
• Density: 0.955g/cm³
• LogP: 3.29720
• Water Solubility.: 25mg/L(25 oC)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C(=CC=C1)CCC)O

Technology Process of 2,6-Dipropylphenol

There total 27 articles about 2,6-Dipropylphenol 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: 94.0%

2-allyl-6-n-propylphenol (73295-87-1) → 2,6-di-n-propylphenol (6626-32-0)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; at 25 ℃; under 760 Torr;

DOI:10.1021/jo01310a012

Reference yield: 69.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + propionaldehyde (123-38-6) → 2,6-di-n-propylphenol (6626-32-0)

Guidance literature:

With zirconocene dichloride; at 150 ℃; for 8h;

DOI:10.1021/jo00256a061

Reference yield: 24.0%

heptanal (111-71-7) + (E)-2-pentylidenecyclohexanone (67382-40-5) → 2,6-di-n-propylphenol (6626-32-0) + 2,6-dipentylphenol (116374-97-1) + 2-heptyl-6-pentylphenol (116375-05-4)

Guidance literature:

With zirconocene dichloride; at 150 ℃; for 8h;

DOI:10.1021/jo00256a061

upstream raw materials:

2,6-diallylphenol

propan-1-ol

4-n-Propylphenol

propoxybenzene

Downstream raw materials:

phthalic acid mono-(2c,6c-dipropyl-cyclohex-r-yl ester)

phthalic acid mono-(2t,6t-dipropyl-cyclohex-r-yl ester)

phenylcarbamic acid-(2c.6c-dipropyl-cyclohexyl-(r)-ester)

(+/-)-cis-1.3-dipropyl-cyclohexanone-⁽²⁾-semicarbazone

Refernces

• 1、 -. "GABAA Receptor allosteric enhancement compounds and their preparation and use". Paragraph 0054-0056; 0073-0076. . Retrieved 2020/03/17.
• 2、 Nakano, Tatsuya,Shirai, Hideki,Tamagawa, Hiroshi,Ishii, Yasutaka,Ogawa, Masaya. "Facile Synthesis of 2,6-Dialkylphenols by Cross-Aromatization of Cyclohexanones with Aldehydes Catalyzed by Zirconocene Complexes". . p. 5181 - 5183. Retrieved 2007/10/02.