4-Isobutoxybenzaldehyde

Base Information

• Chemical Name: 4-Isobutoxybenzaldehyde
• CAS No.: 18962-07-7
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2912499000
• European Community (EC) Number: 672-081-6
• NSC Number: 68517
• DSSTox Substance ID: DTXSID70290416
• Nikkaji Number: J3.085.806I
• Wikidata: Q72496117
• Mol file: 18962-07-7.mol

Synonyms:4-isobutoxybenzaldehyde;18962-07-7;4-isobutoxy-benzaldehyde;4-(2-methylpropoxy)benzaldehyde;NSC 68517;NSC68517;Benzaldehyde, 4-(2-methylpropoxy)-;SCHEMBL970318;DTXSID70290416;AMY12374;BBL029519;MFCD01922006;NSC-68517;STK346822;AKOS000172341;AS-10412;A4188;BB 0218425;CS-0028738;FT-0600831;EN300-71495;Z53833129

Chemical Property of 4-Isobutoxybenzaldehyde

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 0.0037mmHg at 25°C
• Melting Point: 155℃
• Refractive Index: 1.5344 (589.3 nm 20℃)
• Boiling Point: 280.812 °C at 760 mmHg
• Flash Point: 118.896 °C
• PSA: 26.30000
• Density: 1.018 g/cm³
• LogP: 2.53390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

4-Isobutoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC1=CC=C(C=C1)C=O
• Uses: 4-Isobutoxybenzaldehyde to treat neurodegenerative diseases.

Technology Process of 4-Isobutoxybenzaldehyde

There total 8 articles about 4-Isobutoxybenzaldehyde 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: 98.0%

Isobutyl bromide (78-77-3) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-isobutoxybenzaldehyde (18962-07-7)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 70 ℃; for 3h; Inert atmosphere;

Reference yield:

Isobutyl iodide (513-38-2) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-isobutoxybenzaldehyde (18962-07-7)

Guidance literature:

With potassium hydroxide; 2-methyl-propan-1-ol;

Reference yield:

2-methyl-propan-1-ol (78-83-1) + 4-fluorobenzaldehyde (459-57-4) → 4-isobutoxybenzaldehyde (18962-07-7)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 80 ℃; for 8h;

DOI:10.1016/j.bmcl.2004.02.087

upstream raw materials:

hexamethylenetetramine

4-isobutoxybenzyl chloride

Isobutyl iodide

4-hydroxy-benzaldehyde

Downstream raw materials:

3-(chloromethyl)-4-isobutoxybenzaldehyde

1-[4-(2-methylpropyloxy)phenyl]methanamine

N,N'-bis(4-isobutoxybenzyl)urea

N-(1-methylpiperidin-4-yl)-N-(4-fluorophenylmethyl)-N′-(4-(2-methylpropyloxyl)phenylmethyl)carbamide

Refernces

• 1、 Xiong, Yao,Yan, Xilong,Ma, Yawen,Li, Yang,Yin, Guohui,Chen, Ligong. "Regulating the piezofluorochromism of 9,10-bis(butoxystyryl)anthracenes by isomerization of butyl groups". . p. 3403 - 3406. Retrieved 2015.
• 2、 -. "A high-purity matching not fan selin preparation method". Paragraph 0027; 0035; 0036. . Retrieved 2019/05/22.