1-[4-(Allyloxy)-2,6-dihydroxyphenyl]ethanone

Base Information

• Chemical Name: 1-[4-(Allyloxy)-2,6-dihydroxyphenyl]ethanone
• CAS No.: 35028-03-6
• Molecular Formula: C11H12 O4
• Molecular Weight: 208.21
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID40379444
• Wikidata: Q82169250
• Mol file: 35028-03-6.mol

Synonyms:35028-03-6;1-[4-(Allyloxy)-2,6-dihydroxyphenyl]ethanone;1-(2,6-dihydroxy-4-prop-2-enoxyphenyl)ethanone;1-[4-(allyloxy)-2,6-dihydroxyphenyl]ethan-1-one;1-(4-(Allyloxy)-2,6-dihydroxyphenyl)ethanone;1-[2,6-dihydroxy-4-(prop-2-en-1-yloxy)phenyl]ethan-1-one;1-(4-(Allyloxy)-2,6-dihydroxyphenyl)ethan-1-one;DTXSID40379444;AKOS005266490;TS-00401;CS-0363531;1-(4-allyloxy-2,6-dihydroxy-phenyl)-ethanone;1-{2,6-Dihydroxy-4-[(prop-2-en-1-yl)oxy]phenyl}ethan-1-one

Chemical Property of 1-[4-(Allyloxy)-2,6-dihydroxyphenyl]ethanone

Chemical Property:

• Melting Point: 145 °C
• PSA: 66.76000
• LogP: 1.86520
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

1-[4-(Allyloxy)-2,6-dihydroxyphenyl]ethanone 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(C=C1O)OCC=C)O

Technology Process of 1-[4-(Allyloxy)-2,6-dihydroxyphenyl]ethanone

There total 3 articles about 1-[4-(Allyloxy)-2,6-dihydroxyphenyl]ethanone 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: 35.0%

acetyl chloride (75-36-5) + 1-(2-propenyloxy)-3,5-dihydroxybenzene (813414-06-1) → 2,4-Diacetyl-5-allyl-resorcinol (35075-32-2) + 1-(2-propenyloxy)-4-acetyl-3,5-dihydroxybenzene (35028-03-6)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/j.bmc.2006.10.006

Reference yield:

3,5-dihydroxyphenol (108-73-6) → 1-(2-propenyloxy)-4-acetyl-3,5-dihydroxybenzene (35028-03-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / sodium hydride / dimethylformamide / 20 °C

2: 35 percent / TiCl₄ / CH₂Cl₂ / 0.5 h / 20 °C

With titanium tetrachloride; sodium hydride; In dichloromethane; N,N-dimethyl-formamide; 2: Friedel-Crafts acylation;

DOI:10.1016/j.bmc.2006.10.006

Reference yield:

→ 1-(2-propenyloxy)-4-acetyl-3,5-dihydroxybenzene (35028-03-6)

Guidance literature:

aus II (R=Ac, R'=Allyl);

DOI:10.1016/0040-4020(72)80143-1

upstream raw materials:

acetyl chloride

1-(2-propenyloxy)-3,5-dihydroxybenzene

3,5-dihydroxyphenol

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