5-(tert-Butyl)-2-methoxybenzaldehyde

Base Information

• Chemical Name: 5-(tert-Butyl)-2-methoxybenzaldehyde
• CAS No.: 85943-26-6
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 2912499000
• European Community (EC) Number: 445-500-3
• DSSTox Substance ID: DTXSID70424613
• Nikkaji Number: J989.986C
• Wikidata: Q82237268
• Mol file: 85943-26-6.mol

Synonyms:85943-26-6;5-(tert-Butyl)-2-methoxybenzaldehyde;5-tert-butyl-2-methoxybenzaldehyde;5-(Tert-butyl)-2-methoxybenzenecarbaldehyde;Benzaldehyde, 5-(1,1-dimethylethyl)-2-methoxy-;5-(tert-Butyl)-o-anisaldehyde;4-(tert-Butyl)-2-formylanisole;SCHEMBL4186655;DTXSID70424613;OBYAZZBWVOYPRX-UHFFFAOYSA-N;2-Methoxy-5-tert-butylbenzaldehyde;MFCD06246086;AKOS000303268;CA-0854;CS-0105465;FT-0642016;A841498;J-516409

Chemical Property of 5-(tert-Butyl)-2-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00355mmHg at 25°C
• Melting Point: 32 °C
• Boiling Point: 281.5oC at 760 mmHg
• Flash Point: 113.4oC
• PSA: 26.30000
• Density: 1.002g/cm3
• LogP: 2.80520
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

5-tert-Butyl-2-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)OC)C=O
• Uses: 5-tert-Butyl-2-methoxybenzaldehyde is a reagent used in the preparation of conjugated polymers as well as highly selective fluorescent sensors.

Technology Process of 5-(tert-Butyl)-2-methoxybenzaldehyde

There total 8 articles about 5-(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: 96.0%

2-hydroxy-5-t-butylbenzaldehyde (2725-53-3) + methyl iodide (74-88-4) → 5-tert-butyl-2-methoxybenzaldehyde (85943-26-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

DOI:10.1002/anie.201508034

Reference yield: 70.0%

hexamethylenetetramine (100-97-0) + 1-(tert-butyl)-4-methoxybenzene (5396-38-3) → 5-tert-butyl-2-methoxybenzaldehyde (85943-26-6)

Guidance literature:

With trifluoroacetic acid; for 24h; Heating;

DOI:10.1055/s-1998-2110

Reference yield:

1-(tert-butyl)-4-methoxybenzene (5396-38-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-tert-butyl-2-methoxybenzaldehyde (85943-26-6)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; at 0 - 35 ℃; for 144h;

DOI:10.1016/j.polymer.2017.02.069

upstream raw materials:

2-chloromethyl-4-tert-butylanisole

hexamethylenetetramine

N-Formylpiperidine

1-(tert-butyl)-4-methoxybenzene

Downstream raw materials:

3-(5-tert-butyl-2-methoxyphenyl)acrylic acid

3-(5-tert-butyl-2-methoxyphenyl)propan-1-ol

2-(3-bromopropyl)-4-tert-butyl-methoxybenzene

7-[3-(5-tert-butyl-2-methoxyphenyl)propyl]-1,5,7-triazabicyclo[4.4.0]dec-5-ene