Detail of "37942-07-7"

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CAS Number:
37942-07-7
Name:
Benzaldehyde,3,5-bis(1,1-dimethylethyl)-2-hydroxy-
Superlist Name:
3,5-Bis(1,1-dimethylethyl)-2-hydroxy-benzaldehyde
Molecular Structure:
Formula:
C₁₅H₂₂O₂
Molecular Weight:
234.33
Synonyms:
Salicylaldehyde,3,5-di-tert-butyl- (6CI,7CI);2-Hydroxy-3,5-di-tert-butylbenzaldehyde;3,5-Bis(tert-butyl)salicylaldehyde;3,5-Di-t-butylsalicylaldehyde;3,5-Di-tert-butylsalicylic aldehyde;3,5-tert-Butyl-2-hydroxybenzaldehyde;
Density:
1.006 g/cm³
Melting Point:
59-61 °C(lit.)
Boiling Point:
277.6 °C at 760 mmHg
Flash Point:
116.1 °C
Appearance:
straw yellow to white crystal /powder
Hazard Symbols:
Xi
Risk Codes:
36/37/38
Safety:
26-36 Details

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Spin-spin coupling between hydroxyl and aldehydic protons in some salicylaldehyde derivatives: Spin-spin coupling between hydroxyl and aldehydic protons in some salicylaldehyde derivatives. Correlation with the hydroxyl proton chemical shift. Schaefer, Ted; Sebastian, Rudy; Laatikainen, Reino; Salman, Salman R. (Dep. Chem., Univ. Manitoba, Winnipeg, MB R3T 2N2, Can.). Can. J. Chem., 62(2), 326-31 (English) 1984. CODEN: CJCHAG. ISSN: 0008-4042. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) 1H NMR spectral parameters are reported for o-HOC6H4CHO (I) and 15 of its derivs. in dil. CCl4 solns. In those compds. contg. sufficiently large substituents ortho to either functional group or in which substituents enhance the charge d. in the C:O group, a pos. spin-spin coupling is obsd. 19283-70-6 and 37942-07-7 are also in the experiment. between the 2 side-chain protons. This coupling, formally over 5 bonds, correlates with the chem. shift of the OH proton. The coupling mechanism is discussed from various viewpoints. STO-3G MO calcns. give an optimized planar structure for I, with nonplanar structures being less stable. The energy of the H bond in I is ~30 kJ/mol, and increases to 36 kJ/mol in the 4,6-dimethoxy deriv. Other small, long-range spin-spin coupling consts. in these compds. are also discussed. .

One-pot synthesis of 3-carboxycoumarins via consecutive Knoevenagel and Pinner reactions in water: One-pot synthesis of 3-carboxycoumarins via consecutive Knoevenagel and Pinner reactions in water. Fringuelli, Francesco; Piermatti, Oriana; Pizzo, Ferdinando ( Dipartimento di Chimica, Universita di Perugia, Perugia 06123, Italy). Synthesis, (15), 2331-2334 (English) 2003 Georg Thieme Verlag.Some commonly used reagents like 635-93-8 and 37942-07-7 are used in this experiment. CODEN: SYNTBF. ISSN: 0039-7881. DOCUMENT TYPE: Journal CA Section: 27 (Heterocyclic Compounds (One Hetero Atom)) Substituted 3-carboxycoumarins I [R = H, 6-Cl, 6-OH, 7-OH, 8-OH, 7-OMe, 5,7-(OMe)2, 8-t-Bu, 6,8-(t-Bu)2] have been prepd. by one-pot reaction of suitably substituted salicylaldehydes with malononitrile in water. The overall yields are high and the protocol does not require org. solvents. .