3-Dimethylallyl-4-hydroxybenzaldehyde

Base Information

• Chemical Name: 3-Dimethylallyl-4-hydroxybenzaldehyde
• CAS No.: 54730-30-2
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• DSSTox Substance ID: DTXSID80332134
• Nikkaji Number: J1.891.160D
• Wikidata: Q27114140
• Metabolomics Workbench ID: 69908
• Mol file: 54730-30-2.mol

Synonyms:3-Dimethylallyl-4-hydroxybenzaldehyde;4-hydroxy-3-(3-methylbut-2-enyl)benzaldehyde;54730-30-2;C12459;AC1L9FC6;CTK1F8319;Benzaldehyde, 4-hydroxy-3-(3-methyl-2-butenyl)-;4-Hydroxy-3-prenylbenzaldehyde;SCHEMBL1587344;CHEBI:31110;DTXSID80332134;4-hydroxy-3-(3-methyl-2-butenyl)benzaldehyde;4-hydroxy-3-(3-methylbut-2-enyl)-benzaldehyde;Benzaldehyde,4-hydroxy-3-(3-methyl-2-buten-1-yl)-;Q27114140

Chemical Property of 3-Dimethylallyl-4-hydroxybenzaldehyde

Chemical Property:

• PSA: 37.30000
• LogP: 2.71340
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

4-Hydroxy-3-(3-methyl-2-buten-1-yl)-benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCC1=C(C=CC(=C1)C=O)O)C

Technology Process of 3-Dimethylallyl-4-hydroxybenzaldehyde

There total 8 articles about 3-Dimethylallyl-4-hydroxybenzaldehyde 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: 88.0%

4-((2-methylbut-3-en-2-yl)oxy)benzaldehyde (54730-29-9) → 4-hydroxy-3-C-prenylbenzaldehyde (54730-30-2)

Guidance literature:

In N,N-dimethyl-formamide; at 180 ℃; for 0.75h; Microwave irradiation;

DOI:10.1002/ejoc.201700158

Reference yield: 38.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + prenyl bromide (870-63-3) → 4-hydroxy-3-C-prenylbenzaldehyde (54730-30-2)

Guidance literature:

4-hydroxy-benzaldehyde; With potassium hydroxide; In water; at 20 ℃;

prenyl bromide; With potassium hydroxide; In water; at 30 ℃; for 48h;

With acetic acid; In water; pH=5;

DOI:10.1016/j.ejmech.2008.05.032

Reference yield: 20.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + prenyl bromide (870-63-3) → 4-(3-methyl-but-2-enyloxy)-benzaldehyde (28090-12-2) + 4-hydroxy-3-C-prenylbenzaldehyde (54730-30-2)

Guidance literature:

at 25 ℃; for 24h; Alkaline conditions;

upstream raw materials:

4-hydroxy-benzaldehyde

prenyl bromide

2-methyl-3-buten-2-ol

3,3-dimethyl-allyl chloride

Downstream raw materials:

4-Methoxy-3-(γ,γ-dimethylallyl)benzaldehyde

4-(ethoxymethoxy)-3-(3-methylbut-2-en-1-yl)benzaldehyde

6-formyl-2,2-dimethyl-2H-chromene

4-methoxymethoxy-3-(3-methyl-but-2-enyl)-benzaldehyde