3,5-Di-tert-butyl-2-methoxybenzaldehyde

Base Information

• Chemical Name: 3,5-Di-tert-butyl-2-methoxybenzaldehyde
• CAS No.: 135546-15-5
• Molecular Formula: C16H24O2
• Molecular Weight: 248.365
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID10398900
• Wikidata: Q82201148
• Mol file: 135546-15-5.mol

Synonyms:3,5-Di-tert-butyl-2-methoxybenzaldehyde;135546-15-5;3,5-ditert-butyl-2-methoxybenzaldehyde;SCHEMBL314046;Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-2-methoxy-;DTXSID10398900;SWCHIZAAFNBZED-UHFFFAOYSA-N;CS-D0488;MFCD02093684;AKOS000297061;3,5-ditert-butyl-2-methoxy-benzaldehyde;AS-63986;FT-0643236;3,5-Di-tert-butyl-2-methoxybenzaldehyde, 97%;F50935;A806950;J-006718;InChI=1/C16H24O2/c1-15(2,3)12-8-11(10-17)14(18-7)13(9-12)16(4,5)6/h8-10H,1-7H

Chemical Property of 3,5-Di-tert-butyl-2-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000337mmHg at 25°C
• Melting Point: 33-37 °C(lit.)
• Refractive Index: 1.503
• Boiling Point: 128 °C0.5 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 26.30000
• Density: 0.96g/cm³
• LogP: 4.10270
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 248.177630004
• Heavy Atom Count: 18
• Complexity: 283

Purity/Quality:

97% ^*data from raw suppliers

3,5-Di-tert-butyl-2-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,5-Di-tert-butyl-2-methoxybenzaldehyde

There total 5 articles about 3,5-Di-tert-butyl-2-methoxybenzaldehyde 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%

1-bromo-3,5-di-tert-butyl-2-methoxybenzene (217819-14-2) → 3,5-di(tert-butyl)-2-methoxybenzaldehyde (135546-15-5)

Guidance literature:

1-bromo-3,5-di-tert-butyl-2-methoxybenzene; With n-butyllithium; In tetrahydrofuran;

With N-formyldiethylamine;

Reference yield: 99.0%

3,5-di-tert-butyl-2-hydroxybenzaldehyde (37942-07-7) + methyl iodide (74-88-4) → 3,5-di(tert-butyl)-2-methoxybenzaldehyde (135546-15-5)

Guidance literature:

With potassium carbonate; sodium hydroxide; In water; N,N-dimethyl-formamide; at 20 ℃; for 15.5h;

DOI:10.1002/chem.201604421

Reference yield:

2,4-di-tert-Butylphenol (96-76-4) → 3,5-di(tert-butyl)-2-methoxybenzaldehyde (135546-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine; tin(IV) chloride / toluene / 0.25 h / 20 °C / Inert atmosphere

1.2: 12 h / 80 °C / Inert atmosphere

2.1: sodium hydroxide / tetrahydrofuran; dimethyl sulfoxide / 12 h / 20 °C

With tin(IV) chloride; triethylamine; sodium hydroxide; In tetrahydrofuran; dimethyl sulfoxide; toluene;

DOI:10.1016/j.tetlet.2017.05.083

upstream raw materials:

2,4-di-tert-butyl-6-methyl-anisole

3,5-di-tert-butyl-2-hydroxybenzaldehyde

methyl iodide

1-bromo-3,5-di-tert-butyl-2-methoxybenzene

Downstream raw materials:

(3,5-di-tert-butyl-2-methoxyphenyl)methanol

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