4-(Tert-Butoxy)Benzaldehyde

Base Information

• Chemical Name: 4-(Tert-Butoxy)Benzaldehyde
• CAS No.: 57699-45-3
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2912499000
• European Community (EC) Number: 260-909-5
• DSSTox Substance ID: DTXSID10206399
• Nikkaji Number: J296.771E
• Wikidata: Q72509651
• Mol file: 57699-45-3.mol

Synonyms:4-(Tert-Butoxy)Benzaldehyde;57699-45-3;4-tert-Butoxybenzaldehyde;4-[(2-methylpropan-2-yl)oxy]benzaldehyde;p-tert-Butoxybenzaldehyde;Benzaldehyde, 4-(1,1-dimethylethoxy)-;4-(tert-Butyloxy)benzaldehyde;P-tert-Buthoxybenzaldehyde;EINECS 260-909-5;57899-45-3;4-t-butoxybenzaldehyde;4-t-butyloxybenzaldehyde;4-(t-Butoxy)benzaldehyde;p-tert.-butoxy-benzaldehyde;4-tert-Butyloxy Benzaldehyde;SCHEMBL387263;1-tert-Butoxy-4-formylbenzene;AMY467;DTXSID10206399;MFCD00040800;AKOS005207162;AB10005;4-(tert-Butyloxy)benzaldehyde, >97.0%;AS-44398;B3312;CS-0204806;FT-0619474;A831564;W-105448

Chemical Property of 4-(Tert-Butoxy)Benzaldehyde

Chemical Property:

• Appearance/Colour: clear yellow-green
• Vapor Pressure: 0.00552mmHg at 25°C
• Refractive Index: n20/D 1.534
• Boiling Point: 274.1 °C at 760 mmHg ,87-92°C 1,5mm
• Flash Point: 114 °C
• PSA: 26.30000
• Density: 1.023
• LogP: 2.67640
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble in water
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

4-(tert-Butoxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC1=CC=C(C=C1)C=O

Technology Process of 4-(Tert-Butoxy)Benzaldehyde

There total 10 articles about 4-(Tert-Butoxy)Benzaldehyde 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: 91.0%

4-bromo-benzaldehyde (1122-91-4) + sodium t-butanolate (865-48-5) → p-tert-butoxybenzaldehyde (57699-45-3)

Guidance literature:

With palladium diacetate; tri-tert-butyl phosphine; In xylene; at 120 ℃; for 1h;

DOI:10.1016/S0040-4039(99)01855-9

Reference yield: 75.0%

potassium tert-butylate (865-47-4) + 4-fluorobenzaldehyde (459-57-4) → p-tert-butoxybenzaldehyde (57699-45-3)

Guidance literature:

In dimethyl sulfoxide; for 0.166667h; Heating; Irradiation;

DOI:10.1016/S0040-4039(98)00308-6

Reference yield: 72.0%

tertiary butyl chloride (507-20-0) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → p-tert-butoxybenzaldehyde (57699-45-3)

Guidance literature:

With zinc; at 25 ℃; for 1h;

upstream raw materials:

4-hydroxy-benzaldehyde

isobutene

potassium tert-butylate

4-fluorobenzaldehyde

Downstream raw materials:

(2S)-trimethylsilyloxy(4-tert-butoxyphenyl)acetonitrile

(E/Z)-methyl 3-(4-tert-butoxyphenyl)-2-dimethylaminoacrylate

(Z)-methyl 3-(4-tert-butoxyphenyl)-2-pivaloyloxyacrylate

(R)-methyl 3-(4-tert-butoxyphenyl)-2-pivaloyloxypropanoate

Refernces

• 1、 Guo, Huimin,He, Cheng,Li, LiLi,Li, Xuezhao,Wang, Hailing,Yang, Linlin. "Encapsulation of Flavin Cofactor within a Manganese Porphyrin-Based Metal-Organic Polyhedron for Reductive Dioxygen Activation". supporting information. p. 2636 - 2640. Retrieved 2020/03/19.
• 2、 Bartoli, Giuseppe,Bosco, Marcella,Carlone, Armando,Dalpozzo, Renato,Locatelli, Manuela,Melchiorre, Paolo,Sambri, Letizia. "Alcohols and di-tert-butyl dicarbonate: How the nature of the Lewis acid catalyst may address the reaction to the synthesis of tert-butyl ethers". . p. 9580 - 9588. Retrieved 2007/10/03.