4-Propylresorcinol

Base Information

• Chemical Name: 4-Propylresorcinol
• CAS No.: 18979-60-7
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2907299090
• European Community (EC) Number: 242-714-7
• UNII: N3P36AAK2U
• DSSTox Substance ID: DTXSID90172402
• Nikkaji Number: J224.818B
• Wikidata: Q27284514
• Mol file: 18979-60-7.mol

Synonyms:4-Propylresorcinol;4-propylbenzene-1,3-diol;18979-60-7;1,3-Benzenediol, 4-propyl-;4-n-Propylresorcinol;UNII-N3P36AAK2U;N3P36AAK2U;EINECS 242-714-7;6-propylresorcinol;SCHEMBL68200;4-Propyl-1,3-benzenediol #;RESORCINOL, 4-PROPYL-;DTXSID90172402;AMY40717;MFCD00020120;AKOS006345757;4(3h)-pyrimidinone, 5-chloro-6-ethyl-;AC-14366;TS-02026;CS-0152424;FT-0637776;C73634;A813361;J-012248;J-515975;Q27284514

Chemical Property of 4-Propylresorcinol

Chemical Property:

• Appearance/Colour: White powder
• Melting Point: 82.5°C
• Refractive Index: 1.609
• Boiling Point: 286.9 °C at 760 mmHg
• PKA: 9.82±0.18(Predicted)
• Flash Point: 139.2 °C
• PSA: 40.46000
• Density: 1.122 g/cm³
• LogP: 2.05030
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Propylbenzene-1,3-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C=C(C=C1)O)O
• Uses: 4-Propylbenzene-1,3-diol is a component of the fractional distillate of hydrothermal liquefaction of biomass.

Technology Process of 4-Propylresorcinol

There total 16 articles about 4-Propylresorcinol 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: 90.0%

2',4'-dihydroxypropiophenone (5792-36-9) → 4-propylresorcinol (18979-60-7)

Guidance literature:

With hydrogenchloride; zinc; In ethanol;

DOI:10.1016/j.bmc.2014.01.032

Reference yield:

4-allylguaiacol (97-53-0) → 2-methoxy-4-n-propylphenol (2785-87-7) + propylcyclohexane (1678-92-8) + 1-methyl-2-propyl-cyclohexane (4291-79-6,4926-71-0,42806-77-9,130365-42-3,130365-43-4,130365-46-7,130365-47-8,130365-50-3,130365-51-4) + 4-propylresorcinol (18979-60-7) + 4-propyl-1,2-dimethoxybenzene (5888-52-8) + methyl cyclohexane (82166-21-0)

Guidance literature:

With hydrogen; In hexane; at 300 ℃; for 5h; under 30003 Torr; Reagent/catalyst;

DOI:10.1039/c8gc01960f

Reference yield:

→ 4-propylresorcinol (18979-60-7)

Guidance literature:

With hydrogenchloride; amalgamated zinc;

upstream raw materials:

2',4'-dihydroxypropiophenone

4-allyl-1,3-dihydroxybenzene

2,4-dipropionyl-resorcinol

hydrogenchloride

Downstream raw materials:

2,4-dihydroxy-5-propyl-deoxybenzoin

2,4-dihydroxy-5-propyl-benzaldehyde

1-(2,4-dihydroxy-5-propylphenyl)-2-(4-methylthiazol-2-yl)ethan-1-one

2-(2-chlorophenoxy)-1-(2,4-dihydroxy-5-propylphenyl)ethanone

Refernces

• 1、 Ju, Chao,Li, Mingrui,Fang, Yunming,Tan, Tianwei. "Efficient hydro-deoxygenation of lignin derived phenolic compounds over bifunctional catalysts with optimized acid/metal interactions". supporting information. p. 4492 - 4499. Retrieved 2018/10/24.
• 2、 Yu, Guanping,Kuo, David,Shoham, Menachem,Viswanathan, Rajesh. "Combinatorial synthesis and in vitro evaluation of a biaryl hydroxyketone library as antivirulence agents against mrsa". supporting information. p. 85 - 91. Retrieved 2014/03/21.