Cas no 74495-72-0 (rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3)
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediol,1-[4-hydroxy-3-(methoxy-d3)phenyl]- (9CI)
- rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3
- 4-Hydroxy-3-(methoxy-d3)phenyl Glycol
- HMPG-d3
- MHPG-d3
- MOPEG-d3
- Vanilethanediol-d3
- Vanylglycol-d3
- [3-(Methoxy-d3)-4-hydroxyphenyl]ethylene Glycol
- HY-113323S
- 1-(4-Hydroxy-3-(methoxy-d3)phenyl)-1,2-ethanediol
- AS-6172
- 1-[4-hydroxy-3-(trideuteriomethoxy)phenyl]ethane-1,2-diol
- 1-[4-hydroxy-3-(?H?)methoxyphenyl]ethane-1,2-diol
- AKOS030242930
- 74495-72-0
- 1-{4-Hydroxy-3-[(~2~H_3_)methyloxy]phenyl}ethane-1,2-diol
- CS-0566441
- DTXSID60502893
-
- Inchi: 1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3/i1D3
- InChI Key: FBWPWWWZWKPJFL-FIBGUPNXSA-N
- SMILES: OC(CO)C1C=CC(=C(C=1)OC([2H])([2H])[2H])O
Computed Properties
- Exact Mass: 187.09200
- Monoisotopic Mass: 187.09238910g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 151
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: nothing
- Topological Polar Surface Area: 69.9?2
Experimental Properties
- PSA: 69.92000
- LogP: 0.42650
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | H946342-2.5mg |
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 |
74495-72-0 | 2.5mg |
$ 234.00 | 2023-09-07 | ||
| TRC | H946342-25mg |
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 |
74495-72-0 | 25mg |
$ 1804.00 | 2023-09-07 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-215785-2.5 mg |
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3, |
74495-72-0 | 2.5 mg |
¥2,858.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-215785-2.5mg |
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3, |
74495-72-0 | 2.5mg |
¥2858.00 | 2023-09-05 | ||
| A2B Chem LLC | AE06665-1mg |
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 |
74495-72-0 | 1mg |
$538.00 | 2024-04-19 | ||
| 1PlusChem | 1P008QEH-25mg |
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 |
74495-72-0 | 25mg |
$1558.00 | 2025-02-24 | ||
| 1PlusChem | 1P008QEH-2.5mg |
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 |
74495-72-0 | 2.5mg |
$306.00 | 2025-02-24 | ||
| Key Organics Ltd | AS-6172-5mg |
MHPG D3 (racemic mixture) |
74495-72-0 | >95% | 5mg |
£766.60 | 2025-02-09 | |
| Key Organics Ltd | AS-6172-10mg |
MHPG D3 (racemic mixture) |
74495-72-0 | >95% | 10mg |
£821.53 | 2025-02-09 |
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
Additional information on rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 (CAS No. 74495-72-0): A Comprehensive Overview
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 (CAS No. 74495-72-0) is a deuterated compound that has gained significant attention in the fields of chemical biology and pharmaceutical research. This compound is a deuterated analog of 4-Hydroxy-3-methoxyphenylethylene glycol (also known as homovanillyl alcohol), which is a key intermediate in the synthesis of various bioactive molecules and pharmaceuticals. The deuterium labeling in rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 provides enhanced stability and reduced metabolic degradation, making it a valuable tool for in-depth studies and applications.
The chemical structure of rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 consists of a phenyl ring substituted with a hydroxyl group at the 4-position and a methoxy group at the 3-position, attached to an ethylene glycol moiety. The deuterium atoms are strategically placed on the ethylene glycol portion, which significantly affects the compound's physical and chemical properties. This deuterated form has been extensively studied for its potential in metabolic labeling, pharmacokinetic studies, and as a reference standard in analytical chemistry.
In recent years, the use of deuterated compounds like rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 has become increasingly prevalent in pharmaceutical research. Deuteration can alter the metabolic profile of drugs, leading to improved pharmacokinetic properties such as increased half-life, reduced toxicity, and enhanced therapeutic efficacy. For instance, studies have shown that deuterated analogs of certain drugs exhibit reduced cytochrome P450-mediated metabolism, which can be particularly beneficial in reducing drug-drug interactions and improving patient outcomes.
The synthesis of rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 involves several steps, including the preparation of the phenolic precursor and subsequent deuteration reactions. The process typically starts with the formation of 4-hydroxy-3-methoxybenzaldehyde, which is then converted to 4-hydroxy-3-methoxybenzyl alcohol through reduction. The alcohol is further transformed into 4-hydroxy-3-methoxyphenylethylene glycol via an appropriate coupling reaction. Finally, deuteration is achieved using deuterium gas or deuterated reagents under controlled conditions.
The applications of rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 are diverse and span multiple areas of scientific research. In medicinal chemistry, this compound serves as a valuable intermediate in the synthesis of novel drugs targeting various diseases, including neurodegenerative disorders and cancer. Its stable isotopic labeling makes it an excellent candidate for tracing metabolic pathways and understanding drug metabolism at a molecular level.
In addition to its role in drug development, rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 is also used in analytical chemistry for quantitative analysis and method development. Deuterated compounds are often employed as internal standards in mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy due to their similar chemical properties but distinct isotopic signatures. This allows for accurate quantification and improved detection limits in complex biological matrices.
The safety profile of rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 is another important aspect to consider. While the compound itself is not classified as hazardous, proper handling and storage protocols should be followed to ensure laboratory safety. Researchers should adhere to standard guidelines for handling organic solvents and chemicals to minimize any potential risks.
In conclusion, rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 (CAS No. 74495-72-0) is a versatile and valuable compound with significant applications in chemical biology, pharmaceutical research, and analytical chemistry. Its unique properties make it an essential tool for advancing our understanding of drug metabolism and developing more effective therapeutic agents. As research continues to evolve, the importance of deuterated compounds like rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3 will only grow, contributing to breakthroughs in various scientific fields.
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