Ethyl 2,4-dihydroxy-6-pentylbenzoate

Base Information

• Chemical Name: Ethyl 2,4-dihydroxy-6-pentylbenzoate
• CAS No.: 38862-65-6
• Molecular Formula: C14H20O4
• Molecular Weight: 252.31
• Hs Code.: 2918199090
• European Community (EC) Number: 857-569-0
• UNII: JLK7QTK6Y2
• DSSTox Substance ID: DTXSID70499528
• Wikidata: Q82350367
• Mol file: 38862-65-6.mol

Synonyms:ethyl 2,4-dihydroxy-6-pentylbenzoate;38862-65-6;ethyl olivetolate;BENZOIC ACID, 2,4-DIHYDROXY-6-PENTYL-, ETHYL ESTER;C14H20O4;JLK7QTK6Y2;UNII-JLK7QTK6Y2;SCHEMBL8750720;DTXSID70499528;ethyl2,4-dihydroxy-6-pentylbenzoate;MFCD11618127;AKOS027325608;ethyl 2,4-dihydroxy-6-n-pentylbenzoate;AS-47679;CS-0152317;FT-0651431;beta-Resorcylic acid, 6-pentyl-, ethyl ester;F15230;2,4-Dihydroxy-6-pentyl-benzoic acid ethyl ester;A935028;.BETA.-RESORCYLIC ACID, 6-PENTYL-, ETHYL ESTER

Chemical Property of Ethyl 2,4-dihydroxy-6-pentylbenzoate

Chemical Property:

• Melting Point: 69 °C
• Boiling Point: 420.4±30.0 °C(Predicted)
• PKA: 8.30±0.23(Predicted)
• PSA: 66.76000
• Density: 1.131±0.06 g/cm3(Predicted)
• LogP: 3.00720
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 252.13615911
• Heavy Atom Count: 18
• Complexity: 254

Purity/Quality:

98% ^*data from raw suppliers

Ethyl2,4-dihydroxy-6-pentylbenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC1=C(C(=CC(=C1)O)O)C(=O)OCC
• Uses: Ethyl Olivetolate is used for preparation of crystalline Cannabidiol for pharmaceutical formulations.

Technology Process of Ethyl 2,4-dihydroxy-6-pentylbenzoate

There total 7 articles about Ethyl 2,4-dihydroxy-6-pentylbenzoate 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: 92.0%

3,5-dibromo-2,4-dihydroxy-6-n-pentylbenzoic acid ethyl ester (58497-40-8) → 2,4-dihydroxy-6-n-pentylbenzoic acid ethyl ester (38862-65-6)

Guidance literature:

With hydrogen; sodium acetate; palladium on activated charcoal; In acetic acid; Ambient temperature;

DOI:10.1248/cpb.31.407

Reference yield: 72.0%

C14H18Br2O2 → 2,4-dihydroxy-6-n-pentylbenzoic acid ethyl ester (38862-65-6)

Guidance literature:

With water; sodium citrate; 5% palladium over charcoal; In ethanol; at 60 ℃; for 6h;

Reference yield:

C14H18O4(2-)*Na(1+) → 2,4-dihydroxy-6-n-pentylbenzoic acid ethyl ester (38862-65-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate / acetic acid / 7 h / 20 - 55 °C

2: water; sodium citrate / 5% palladium over charcoal / ethanol / 6 h / 60 °C

With water; sodium acetate; sodium citrate; 5% palladium over charcoal; In ethanol; acetic acid;

upstream raw materials:

ethanol

anziaic acid

3,5-dibromo-2,4-dihydroxy-6-n-pentylbenzoic acid ethyl ester

4-methyleneoxetan-2-one

Downstream raw materials:

ethyl 2-hydroxy-6-pentyl-4-(1-phenyl-5-tetrazolyl)-oxybenzoate

4,6-Bis-benzyloxy-3-chloro-2-pentyl-benzoic acid

4,6-Bis-benzyloxy-3-chloro-2-pentyl-benzoic acid ethyl ester

benzyl 2,4-di-O-benzyl-5-chloro-2'-O-methylanziate

Refernces

• 1、 -. "Process for production of delta-9- tetrahydrocannabinol". . . Retrieved 2010/11/26.