Benzaldehyde, 4-methoxy-3-(3-methyl-2-butenyl)-

Base Information

• Chemical Name: Benzaldehyde, 4-methoxy-3-(3-methyl-2-butenyl)-
• CAS No.: 56074-98-7
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• DSSTox Substance ID: DTXSID60451276
• Nikkaji Number: J1.219.184G
• Mol file: 56074-98-7.mol

Synonyms:56074-98-7;Benzaldehyde, 4-methoxy-3-(3-methyl-2-butenyl)-;3-Prenyl-4-methoxybenzaldehyde;SCHEMBL3303362;DTXSID60451276

Chemical Property of Benzaldehyde, 4-methoxy-3-(3-methyl-2-butenyl)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzaldehyde, 4-methoxy-3-(3-methyl-2-butenyl)-

There total 11 articles about Benzaldehyde, 4-methoxy-3-(3-methyl-2-butenyl)- 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: 95.0%

4-hydroxy-3-C-prenylbenzaldehyde (54730-30-2) + dimethyl sulfate (77-78-1) → 4-Methoxy-3-(γ,γ-dimethylallyl)benzaldehyde (56074-98-7)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Heating;

Reference yield: 94.0%

4-hydroxy-3-C-prenylbenzaldehyde (54730-30-2) + methyl iodide (74-88-4) → 4-Methoxy-3-(γ,γ-dimethylallyl)benzaldehyde (56074-98-7)

Guidance literature:

4-hydroxy-3-C-prenylbenzaldehyde; With sodium hydride; In N,N-dimethyl-formamide; at 10 ℃;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 1.16667h; Cooling with ice;

DOI:10.1016/j.ejmech.2008.05.032

Reference yield: 85.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 4-Bromo-1-methoxy-2-(3-methyl-but-2-enyl)-benzene (187400-01-7) → 4-Methoxy-3-(γ,γ-dimethylallyl)benzaldehyde (56074-98-7)

Guidance literature:

With tert.-butyl lithium; In tetrahydrofuran; at -78 ℃;

DOI:10.1016/S0040-4039(99)01930-9

upstream raw materials:

4-hydroxy-3-C-prenylbenzaldehyde

dimethyl sulfate

N,N-dimethyl-formamide

4-Bromo-1-methoxy-2-(3-methyl-but-2-enyl)-benzene

Downstream raw materials:

(R)-((2S,5R)-5-Isopropyl-3,6-dimethoxy-2,5-dihydro-pyrazin-2-yl)-[4-methoxy-3-(3-methyl-but-2-enyl)-phenyl]-methanol

(S)-((2S,5R)-5-Isopropyl-3,6-dimethoxy-2,5-dihydro-pyrazin-2-yl)-[4-methoxy-3-(3-methyl-but-2-enyl)-phenyl]-methanol

C₂₃H₂₆O₅

C₂₂H₂₄O₄