2-[4-(Tert-Butyl)Phenoxy]Benzenecarbaldehyde

Base Information

• Chemical Name: 2-[4-(Tert-Butyl)Phenoxy]Benzenecarbaldehyde
• CAS No.: 181297-82-5
• Molecular Formula: C17H18O2
• Molecular Weight: 254.329
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID60376950
• Wikidata: Q82165909
• Mol file: 181297-82-5.mol

Synonyms:2-[4-(Tert-Butyl)Phenoxy]Benzenecarbaldehyde;181297-82-5;2-(4-tert-butylphenoxy)benzaldehyde;2-(4-(tert-Butyl)phenoxy)benzaldehyde;2-(4-Tert-butyl-phenoxy)benzaldehyde;SCHEMBL5153871;DTXSID60376950;KGRDMITVHSQHJV-UHFFFAOYSA-N;MFCD01568764;AKOS005069714;CS-0324125;12N-037;J-505867

Chemical Property of 2-[4-(Tert-Butyl)Phenoxy]Benzenecarbaldehyde

Chemical Property:

• Melting Point: 46-48°C
• Boiling Point: 349.4±25.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.066±0.06 g/cm3(Predicted)
• LogP: 4.58890
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 254.130679813
• Heavy Atom Count: 19
• Complexity: 284

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-tert-Butylphenoxy)benzaldehyde ^*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)OC2=CC=CC=C2C=O

Technology Process of 2-[4-(Tert-Butyl)Phenoxy]Benzenecarbaldehyde

There total 2 articles about 2-[4-(Tert-Butyl)Phenoxy]Benzenecarbaldehyde 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: 99.0%

para-tert-butylphenol (98-54-4) + 2-Fluorobenzaldehyde (446-52-6) → 2-(4-(tert-butyl)phenoxy)benzaldehyde (181297-82-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 170 ℃; for 4h;

DOI:10.1021/ol4000857

Reference yield: 49.0%

bis(4-tert-butylphenyl)iodonium trifluoromethanesulfonate (84563-54-2) + benzo[e][1,2,3]oxathiazine 2,2-dioxide (71730-46-6) → 2-(4-(tert-butyl)phenoxy)benzaldehyde (181297-82-5)

Guidance literature:

With potassium tert-butylate; In 1,2-dichloro-ethane; at 60 ℃; for 0.5h; Schlenk technique; Sealed tube;

DOI:10.1039/c6ra19313g

Reference yield: 74.0%

2-(4-(tert-butyl)phenoxy)benzaldehyde (181297-82-5) → 4-tert-butylphenyl salicylate (87-18-3)

Guidance literature:

With 2-pentafluorophenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; 1,4-diaza-bicyclo[2.2.2]octane; oxygen; sodium iodide; 9-(2-mesityl)-10-methylacridinium perchlorate; In dichloromethane; at 20 ℃; for 36h; Schlenk technique; Irradiation;

DOI:10.1039/c9cc09272b

upstream raw materials:

para-tert-butylphenol

2-Fluorobenzaldehyde

bis(4-tert-butylphenyl)iodonium trifluoromethanesulfonate

benzo[e][1,2,3]oxathiazine 2,2-dioxide

Downstream raw materials:

(5Z)-5-[2-(4-tert-butylphenoxy)benzylidene]-1,3-thiazolidine-2,4-dione

4-tert-butylphenyl salicylate

Refernces

• 1、 Qian, Xiaofei,Han, Jianwei,Wang, Limin. "Tert -Butoxide mediated cascade desulfonylation/arylation/hydrolysis of cyclic sulfonyimines using diaryliodonium salts: Synthesis of diaryl ether derivatives bearing a 2-aldehyde group". . p. 89234 - 89237. Retrieved 2016/10/03.
• 2、 Rao, Honghua,Ma, Xinyi,Liu, Qianzi,Li, Zhongfeng,Cao, Shengli,Li, Chao-Jun. "Metal-free oxidative coupling: Xanthone formation via direct annulation of 2-aryloxybenzaldehyde using tetrabutylammonium bromide as a promoter in aqueous medium". supporting information. p. 2191 - 2196. Retrieved 2013/10/01.