129167-73-3

Basic information

• Product Name: 3-bromo-4-(tert-butyl)benzaldehyde
• Synonyms: 3-bromo-4-(tert-butyl)benzaldehyde
• CAS NO: 129167-73-3
• Molecular Weight: 241.128
• Mol File: 129167-73-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 3-bromo-4-(tert-butyl)benzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 3-bromo-4-(tert-butyl)benzaldehyde(129167-73-3)
• EPA Substance Registry System: 3-bromo-4-(tert-butyl)benzaldehyde(129167-73-3)

Safety Data

• Hazardous Substances Data: 129167-73-3(Hazardous Substances Data)

Upstream product

• 38473-89-1 3-bromo-4-(tert-butyl)benzoic acid 
• 14034-08-3 methyl 3-bromo-4-(tert-butyl)benzoate 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 129167-72-2 3-bromo-4-t-butylbenzyl alcohol 

Downstream Products

• 129167-74-4 2-bromo-1-(tert-butyl)-4-methylbenzene 
• 1354973-70-8 C₁₈H₂₆FNO₅ 
• 1354973-69-5 C₂₂H₃₅NO₅ 
• 1354973-68-4 C₃₀H₃₅NO₃ 
• 1354973-67-3 (S)-tert-butyl 3-(2-(tert-butyl)-5-((tert-butyldimethylsilyl)oxy)phenyl)-2-((diphenylmethylene)amino)propanoate 
• 1354973-66-2 C₁₇H₂₉IOSi 
• 1354973-65-1 (2-(tert-butyl)-5-((tert-butyldimethylsilyl)oxy)phenyl)methanol 
• 1354973-63-9 (Z)-4-(2-(tert-butyl)-5-hydroxybenzylidene)-2-phenyloxazol-5(4H)-one 
• 1354973-62-8 (Z)-4-(2-(tert-butyl)-5-((tert-butyldimethylsilyl)oxy)benzylidene)-2-phenyloxazol-5(4H)-one 
• 1354973-61-7 2-(tert-butyl)-5-((tert-butyldimethylsilyl)oxy)benzaldehyde 
• 1354973-60-6 (3-bromo-4-(tert-butyl)phenoxy) (tert-butyl)dimethylsilane 
• 148613-12-1 3-(2-fluoro-5-hydroxyphenyl)-alanine 
• 129167-75-5 3,4-di-t-butylbenzoic acid 
• 103391-77-1 3,4-di-t-butyltoluene 

Relevant articles and documents

Fluorine Radiolabelling Process

The invention relates to a process for producing a process for producing an 18F-labelled compound, the process comprising treating a compound of formula (I) wherein EDG is an electron-donating group selected from —OH, —OR4, —NHR5 and —NR55R5; R1, R2, X1 and X2 are as defined herein; and R3 is selected from H, X3 and X4, wherein X3 is a monodentate cleavable surrogate group, and X4 is a bidentate cleavable surrogate group which is bonded (a) to said X1 or X2 and (b) to the ring carbon atom para to EDG; with [18F]fluoride in the presence of an oxidant, thereby producing, when R3 in the compound of formula (I) is H, an 18F-labelled compound of formula (II), wherein EDG is as defined above and R1, R2, X1 and X2 are as defined herein; or thereby producing, when R3 in the compound of formula (I) is said monodentate cleavable surrogate group X3, a compound of formula (IIa), wherein EDG′ is O, NR5, —NR55R5 or [OR4]+, and wherein R4, R5, R55, R1, R2, X1, X2 and X3 are as defined herein; or thereby producing, when R3 in the compound of formula (I) is said bidentate cleavable surrogate group X4, a compound of formula (IIc) or a compound of formula (IId), wherein EDG′ is O, NR5, —NR55R5 or [OR4]+, and wherein R4, R5, R55, R1, R2, X1, X2 and X4 are as defined herein

The Synthesis and Structure of 3,4-Di-t-butylbenzoic Acid

3,4-Di-t-butylbenzoic acid (1) was synthesized by a seven-step sequence from 4-t-butylbenzoic acid, and its structure was determined by X-ray diffraction and refined to a residual of 0.065 for 1403 independent observed reflections.The crystals are triclinic, P1, a 6.080(1), b 8.777(1), c 13.912(3) Angstroem, α 80.76(2), β 80.84(2), γ 75.62(2)deg.It is the only example of a simple ortho-di-t-butylbenzene whose structure has been determined.The benzene ring experiences some out-of-plane distortion but, in general, strain is relieved by in-plane bond stretching and angular distortions.