4-Propylcatechol

Base Information

• Chemical Name: 4-Propylcatechol
• CAS No.: 2525-02-2
• Molecular Formula: C9H12 O2
• Molecular Weight: 152.193
• Hs Code.: 2907299090
• European Community (EC) Number: 688-464-6
• NSC Number: 138937
• UNII: GY7REF7DMB
• DSSTox Substance ID: DTXSID60179903
• Nikkaji Number: J532.721K
• Wikidata: Q83050408
• Mol file: 2525-02-2.mol

Synonyms:4-propylcatechol

Chemical Property of 4-Propylcatechol

Chemical Property:

• Vapor Pressure: 0.00153mmHg at 25°C
• Melting Point: 60°C
• Refractive Index: 1.4440 (estimate)
• Boiling Point: 286.4°Cat760mmHg
• Flash Point: 138.9°C
• PSA: 40.46000
• Density: 1.122g/cm³
• LogP: 2.05030
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.4
• 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:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Propylcatechol

There total 42 articles about 4-Propylcatechol 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: 100.0%

4-allylpyrocatechol (1126-61-0) → 4-propylbenzene-1,2-diol (2525-02-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1248/CPB.C20-00294

Reference yield: 100.0%

4-(2-iodopropyl)catechol → 4-propylbenzene-1,2-diol (2525-02-2)

Guidance literature:

With aluminium(III) iodide; In hexane; at 80 ℃; for 18h;

DOI:10.1055/s-0035-1588889

Reference yield: 94.0%

2-methoxy-4-propylphenol (58539-27-8) → 4-propylbenzene-1,2-diol (2525-02-2)

Guidance literature:

With hydrogen bromide; In water; at 120 ℃; for 20h;

DOI:10.1021/acs.macromol.7b00064

upstream raw materials:

dihydrosafrole

4-allylguaiacol

2,2-dichloro-5-propyl-benzo[1,3]dioxole

ethanol

Downstream raw materials:

dihydrosafrole

4-allyl-5-propylbenzene-1,2-diol

3-allyl-4-propylbenzene-1,2-diol

1,2-diethoxy-4-propylbenzene

Refernces

• 1、 Zhao, Shou,Abu-Omar, Mahdi M.. "Renewable Thermoplastics Based on Lignin-Derived Polyphenols". . p. 3573 - 3581. Retrieved 2017.
• 2、 Horii, Toshihiro,Itagaki, Sawako,Kawano, Tomikazu,Miyoshi, Akihito,Murakami, Nobutoshi,Tamura, Satoru. "Structure–Activity Relationship of Anti-malarial Allylpyrocatechol Isolated from Piper betle". . p. 784 - 790. Retrieved 2020/09/18.
• 3、 Abu-Omar, Mahdi M.,Ford, Peter C.,Li, Simin,Liu, Baoyuan,Luo, Zhongyang,Truong, Julianne. "One-pot hydrodeoxygenation (HDO) of lignin monomers to C9 hydrocarbons co-catalysed by Ru/C and Nb2O5". supporting information. p. 7406 - 7416. Retrieved 2020/11/25.