Cas no 17610-00-3 (3,5-Di-tert-butylbenzaldehyde)
3,5-Di-tert-butylbenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Bis(tert-Butyl)benzaldehyde
- 3,5-Di-tert-butylbenzaldehyde
- 3,5-di-t-butylbenzaldehyde
- 3,5-Di-tert-butylbenzaldehyle
- 3,5-ditert-butylbenzaldehyde
- 3,5-di-tert-butylbenzatdehyle
- RARECHEM AQ A2 0001
- 3,5-BIS(TERT-BUTYL)BENZLDEHYDE
- 3,5-DI-TERT-BUTYL-BENZALDEHYDE
- 3,5-Bis(tert-butyl)-1-formylbenzene
- 3,5-Di-tert-butylbenzaldehyde 97%
- 3,5-BIS(TERT-BUTYL)BENZALDEHYDE 97%
- 3,5-Bis(tert-butyl)benzaldehyde,97%
- 3,5-Di-tert-butylbenzaldehyde, >=98%
- Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-
- 3,5-di-tertbutylbenzaldehyde
- KSC181G1D
- 3,5-di-tert butylbenzaldehyde
- EOS392
- 3,5-di(t-butyl)-benzaldehyde
- 3,5-di-tert -butylbenzaldehyde
- BRUITYMDHWNCIG-UHFFFAOYSA-N
- A
- AKOS001263408
- MFCD00026298
- AB01473
- A3910
- BCP29904
- D4130
- 3,5-bis (1,1-dimethylethyl)benzaldehyde
- 3,5-di-tert-butyl benzaldehyde
- W-206232
- AC-9263
- 3,5-Di-tert-butylbenzaldehyde, 97%
- UPCMLD0ENAT5605088:001
- CS-W014787
- 3,5-bis(1,1-dimethylethyl)benzaldehyde
- FT-0637573
- Z207209978
- NS00014932
- 17610-00-3
- SY038282
- SCHEMBL189788
- 3 pound not5-di-tert-butylbenzatdehyle
- AMY17924
- DTXSID80361484
- PS-7901
- EN300-219220
- DB-044249
- STL553685
- CHEBI:231570
- BBL100199
-
- MDL: MFCD00026298
- Inchi: 1S/C15H22O/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-10H,1-6H3
- InChI Key: BRUITYMDHWNCIG-UHFFFAOYSA-N
- SMILES: O=CC1C=C(C=C(C=1)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 218.16700
- Monoisotopic Mass: 218.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.7
Experimental Properties
- Color/Form: White to Yellow Solid
- Density: 0.9445 (rough estimate)
- Melting Point: 84.0 to 88.0 deg-C
- Boiling Point: 132°C/5mmHg(lit.)
- Refractive Index: 1.5410 (estimate)
- PSA: 17.07000
- LogP: 4.09410
- λmax: 296(CHCl3)(lit.)
- Solubility: Not available
3,5-Di-tert-butylbenzaldehyde Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Safety Instruction: S22-S24/25
- Safety Term:S22;S24/25
- HazardClass:IRRITANT
- Storage Condition:Store at room temperature
3,5-Di-tert-butylbenzaldehyde Customs Data
- HS CODE:2914399090
- Customs Data:
China Customs Code:
2914399090Overview:
2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
3,5-Di-tert-butylbenzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 049466-1g |
3,5-Di-tert-butylbenzaldehyde |
17610-00-3 | 95% | 1g |
£37.00 | 2022-03-01 | |
| Fluorochem | 049466-5g |
3,5-Di-tert-butylbenzaldehyde |
17610-00-3 | 95% | 5g |
£79.00 | 2022-03-01 | |
| Fluorochem | 049466-25g |
3,5-Di-tert-butylbenzaldehyde |
17610-00-3 | 95% | 25g |
£258.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D133153-100g |
3,5-Di-tert-butylbenzaldehyde |
17610-00-3 | 97% | 100g |
¥2060.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D133153-1g |
3,5-Di-tert-butylbenzaldehyde |
17610-00-3 | 97% | 1g |
¥51.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D133153-25g |
3,5-Di-tert-butylbenzaldehyde |
17610-00-3 | 97% | 25g |
¥644.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D133153-5g |
3,5-Di-tert-butylbenzaldehyde |
17610-00-3 | 97% | 5g |
¥157.90 | 2023-09-03 | |
| Alichem | A019038550-25g |
3,5-Di-tert-butylbenzaldehyde |
17610-00-3 | 97% | 25g |
225.20 USD | 2021-05-31 | |
| Chemenu | CM100451-10g |
3,5-di-tert-butylbenzaldehyde |
17610-00-3 | 95% | 10g |
$102 | 2021-06-17 | |
| Chemenu | CM100451-25g |
3,5-di-tert-butylbenzaldehyde |
17610-00-3 | 95% | 25g |
$204 | 2021-06-17 |
3,5-Di-tert-butylbenzaldehyde Suppliers
3,5-Di-tert-butylbenzaldehyde Related Literature
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1. Bis-porphyrin arrays. Part 1. The synthesis of meso-halophenyl porphyrin-α-dionesRichard Beavington,Paul L. Burn J. Chem. Soc. Perkin Trans. 1 1999 583
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Sheng-Hsiung Hsieh,Ya-Pei Kuo,Han-Mou Gau Dalton Trans. 2007 97
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Umesh Kumar,Pooja Dubey,Ved Vati Singh,Om Prakash,Ajai K. Singh RSC Adv. 2014 4 41659
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Steve Ullmann,René Schnorr,Christian Laube,Bernd Abel,Berthold Kersting Dalton Trans. 2018 47 5801
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Felix Leon,Chenfei Li,Javier F. Reynes,Varun K. Singh,Xiao Lian,How Chee Ong,Gavin Hum,Handong Sun,Felipe García Faraday Discuss. 2023 241 63
Additional information on 3,5-Di-tert-butylbenzaldehyde
Introduction to 3,5-Di-tert-butylbenzaldehyde (CAS No. 17610-00-3) and Its Applications in Modern Chemical Research
3,5-Di-tert-butylbenzaldehyde, with the chemical formula C??H??O and CAS number 17610-00-3, is a prominent aromatic aldehyde that has garnered significant attention in the field of organic synthesis and pharmaceutical chemistry. This compound, characterized by its bulky tert-butyl groups at the 3rd and 5th positions of the benzene ring, exhibits unique electronic and steric properties that make it a valuable intermediate in the development of various chemical entities. The presence of these electron-withdrawing groups enhances its reactivity, making it a versatile building block for synthesizing more complex molecules.
The synthesis of 3,5-Di-tert-butylbenzaldehyde typically involves the oxidation of corresponding methyl derivatives or the Friedel-Crafts acylation followed by reduction. Its stability under a range of reaction conditions further underscores its utility in multi-step synthetic pathways. Recent advancements in catalytic methods have enabled more efficient and environmentally benign routes to this compound, aligning with the growing emphasis on sustainable chemistry practices.
In the realm of pharmaceutical research, 3,5-Di-tert-butylbenzaldehyde has been explored as a precursor for biologically active molecules. Its structural motif is reminiscent of several pharmacophores found in therapeutic agents, particularly those targeting neurological and inflammatory disorders. For instance, derivatives of this compound have shown promise in modulating enzyme activity and receptor binding interactions. Studies have demonstrated its potential in developing novel antioxidant and anti-inflammatory agents, leveraging its ability to scavenge reactive oxygen species due to the phenolic character introduced by aldehyde functionality.
Moreover, the application of 3,5-Di-tert-butylbenzaldehyde extends beyond pharmaceuticals into materials science. Its aromatic structure and rigidity make it a candidate for designing liquid crystals and organic semiconductors. Researchers have investigated its incorporation into polymer matrices to enhance thermal stability and mechanical strength. The bulky tert-butyl groups contribute to steric hindrance, which can be exploited to fine-tune material properties such as crystallinity and melting points.
Recent publications highlight the role of 3,5-Di-tert-butylbenzaldehyde in medicinal chemistry through its use as a scaffold for drug discovery. Computational modeling studies have identified its derivatives as candidates for inhibiting protein-protein interactions involved in cancer progression. The aldehyde group provides a reactive site for further functionalization, allowing chemists to tailor molecular properties such as solubility and bioavailability. This flexibility has led to the development of novel protease inhibitors and kinase inhibitors, which are critical targets in oncology research.
The compound's unique electronic distribution also makes it an interesting candidate for photophysical studies. Its fluorescence properties have been explored in developing sensors for detecting metal ions and other small molecules. The high quantum yield of certain derivatives makes them suitable for bioimaging applications, where precise molecular recognition is essential for diagnostic purposes.
In conclusion, 3,5-Di-tert-butylbenzaldehyde (CAS No. 17610-00-3) stands as a multifaceted compound with broad utility across multiple scientific disciplines. Its synthesis continues to be refined through innovative methodologies, while its applications in drug development, materials science, and analytical chemistry are being increasingly recognized. As research progresses, the full potential of this versatile intermediate is likely to be further unlocked, contributing significantly to advancements in chemical science.
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