Cas no 4433-40-3 (5-(hydroxymethyl)pyrimidine-2,4-diol)
5-(hydroxymethyl)pyrimidine-2,4-diol Chemical and Physical Properties
Names and Identifiers
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- 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
- 5-Hydroxymethyluracil
- 2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-
- 4-Methyl-5-oxyuracil
- 5-(Hydroxymethyl)pyrimidine-2,4-dione~Uracil-5-methanol
- 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione
- 5-(Hydroxymethyl)uracil
- Hydroxymethyl Uracil
- Uracil,5-(hydroxymethyl)- (6CI,7CI,8CI)
- 5-(Hydroxymethyl)-1,3-dihydropyrimidine-2,4-dione
- 5-(Hydroxymethyl)-2,4(1H,3H)-pyrimidinedione
- NSC 20901
- a-Hydroxythymine
- 5-Hydroxy methyluracil
- 5-(hydroxymethyl)pyrimidine-2,4-diol
- alpha-Hydroxythymine
- EN300-1601108
- 2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-, hemihydrate
- MFCD00006070
- 5-(Hydroxymethyl)uracil, 97%
- HD-0707
- DTXSID9063455
- W-106201
- FT-0619713
- s6127
- HMS3649O14
- C03088
- 5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione;5-(Hydroxymethyl)uracil
- SB57726
- hydroxymethyl uracil, AldrichCPR
- AC-8387
- Q27102155
- NSC20901
- SY075692
- F3096-1963
- SCHEMBL44459
- 5-hydroxymethyl-2,4(1H,3H)-pyrimidinedione
- HMS1619D05
- EINECS 224-636-5
- CS-W004924
- Uracil, 5-(hydroxymethyl)-
- NS00014756
- A18783
- NSC-20901
- 2,3H)-Pyrimidinedione, 5-(hydroxymethyl)-
- SR-01000946630-1
- 590TQ3GL34
- AI3-62720
- 5-(Hydroxymethyl)pyrimidine-2,4-dione
- 5-Hydroxymethyl-1H-pyrimidine-2,4-dione
- SR-01000946630
- 2,4-Dihydroxy-5-hydroxymethylpyrimidine
- 5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
- Thymine, .alpha.-hydroxy-
- 4433-40-3
- MFCD00056024
- HY-W004924
- SCHEMBL5744433
- AKOS002270843
- 5-Hydroxymethyl uracil
- BCP03534
- 5-(Hydroxymethyl)-2,4-pyrimidinediol #
- CHEBI:16964
- P16594
- AMY9301
- UNII-590TQ3GL34
- Z276550478
- CCRIS 8815
- AKOS022634000
- 5-Oxymethyluracil
- OXYMETHYLURACIL, 5-
- HMU
- Thymine, alpha-hydroxy-
- pyrimidine-2,4(1H,3H)-dione, 5-hydroxymethyl-
- STL519355
- DB-008902
- BBL100110
- STL453062
-
- MDL: MFCD00006070
- Inchi: 1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
- InChI Key: JDBGXEHEIRGOBU-UHFFFAOYSA-N
- SMILES: OCC1=CNC(NC1=O)=O
- BRN: 125482
Computed Properties
- Exact Mass: 142.03800
- Monoisotopic Mass: 142.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 209
- 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
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: nothing
- Topological Polar Surface Area: 78.4A^2
Experimental Properties
- Color/Form: White to Yellow Solid
- Density: 1.401g/cm3
- Melting Point: >300?°C (lit.)
- Boiling Point: 530.4oC at 760mmHg
- Flash Point: 274.6oC
- Refractive Index: 1.528
- Water Partition Coefficient: Soluble in water. (50 g/L ) at 20°C, DMSO, dimethyl formamide or 100% ethanol.
- PSA: 86.47000
- LogP: -0.61990
- Solubility: Uncertain
5-(hydroxymethyl)pyrimidine-2,4-diol 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
- RTECS:YR0513000
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- TSCA:Yes
- Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
- Safety Term:S22-S24/25
5-(hydroxymethyl)pyrimidine-2,4-diol Customs Data
- HS CODE:2933599090
- Customs Data:
China Customs Code:
2933599090Overview:
2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-(hydroxymethyl)pyrimidine-2,4-diol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| AstaTech | 25836-5/G |
5-HYDROXYMETHYL-1H-PYRIMIDINE-2,4-DIONE |
4433-40-3 | 97% | 5g |
$33 | 2023-09-18 | |
| AstaTech | 25836-25/G |
5-HYDROXYMETHYL-1H-PYRIMIDINE-2,4-DIONE |
4433-40-3 | 97% | 25g |
$115 | 2023-09-18 | |
| AstaTech | 25836-100/G |
5-HYDROXYMETHYL-1H-PYRIMIDINE-2,4-DIONE |
4433-40-3 | 97% | 100g |
$345 | 2023-09-18 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 021152-5g |
5-(hydroxymethyl)pyrimidine-2,4-diol |
4433-40-3 | 98% | 5g |
957.0CNY | 2021-06-29 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 021152-1g |
5-(hydroxymethyl)pyrimidine-2,4-diol |
4433-40-3 | 98% | 1g |
306.0CNY | 2021-06-29 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 021152-25g |
5-(hydroxymethyl)pyrimidine-2,4-diol |
4433-40-3 | 98% | 25g |
4388.0CNY | 2021-06-29 | |
| S e l l e c k ZHONG GUO | S6127-5mg |
5-Hydroxymethyluracil |
4433-40-3 | 99.77% | 5mg |
¥794.57 | 2023-09-16 | |
| S e l l e c k ZHONG GUO | S6127-25mg |
5-Hydroxymethyluracil |
4433-40-3 | 25mg |
¥2375.51 | 2022-04-26 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-XC308-20g |
5-(hydroxymethyl)pyrimidine-2,4-diol |
4433-40-3 | 95% | 20g |
701.0CNY | 2021-07-10 | |
| abcr | AB468838-1 g |
5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione, 95%; . |
4433-40-3 | 95% | 1g |
€59.00 | 2023-04-21 |
5-(hydroxymethyl)pyrimidine-2,4-diol Suppliers
5-(hydroxymethyl)pyrimidine-2,4-diol Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
Additional information on 5-(hydroxymethyl)pyrimidine-2,4-diol
Comprehensive Overview of 5-(hydroxymethyl)pyrimidine-2,4-diol (CAS No. 4433-40-3): Properties, Applications, and Research Insights
5-(hydroxymethyl)pyrimidine-2,4-diol (CAS No. 4433-40-3) is a biologically significant pyrimidine derivative that has garnered attention in pharmaceutical and biochemical research. This compound, also referred to as hydroxymethyluracil, is structurally characterized by a pyrimidine ring substituted with hydroxyl and hydroxymethyl groups. Its unique molecular architecture makes it a versatile intermediate in the synthesis of nucleoside analogs and other bioactive molecules. Researchers are increasingly exploring its potential in drug development, particularly in antiviral and anticancer therapies, due to its ability to mimic natural nucleobases.
The growing interest in 5-(hydroxymethyl)pyrimidine-2,4-diol aligns with current trends in precision medicine and targeted drug design. Searches for "pyrimidine derivatives in cancer research" or "hydroxymethyluracil applications" have surged, reflecting its relevance in modern therapeutics. Its role in modulating DNA repair mechanisms has also sparked discussions in longevity research, a hot topic in 2024. Studies suggest that derivatives of this compound may influence epigenetic markers, making it a candidate for age-related disease interventions.
From a chemical perspective, CAS No. 4433-40-3 exhibits interesting solubility properties, being moderately soluble in water and polar organic solvents. This characteristic is crucial for its formulation in biomedical applications. Analytical techniques like HPLC and NMR are commonly employed for its characterization, with researchers often searching for "4433-40-3 spectral data" or "5-(hydroxymethyl)pyrimidine-2,4-diol purity analysis." The compound's stability under various pH conditions makes it suitable for diverse experimental protocols.
In the context of green chemistry advancements, 5-(hydroxymethyl)pyrimidine-2,4-diol has been investigated as a building block for sustainable material synthesis. Its biodegradability and low toxicity profile answer the increasing demand for "eco-friendly pharmaceutical intermediates." Recent patents have highlighted its utility in creating polymer conjugates for controlled drug release systems, addressing the popular search query "smart drug delivery using pyrimidine compounds."
The commercial availability of CAS No. 4433-40-3 has expanded significantly, with suppliers offering various grades from research-grade to GMP-quality material. This availability supports its growing applications in high-throughput screening and combinatorial chemistry. Quality-conscious buyers frequently search for "4433-40-3 supplier comparison" or "hydroxymethylpyrimidine batch testing," emphasizing the need for reliable sourcing in research applications.
Emerging studies on 5-(hydroxymethyl)pyrimidine-2,4-diol have explored its potential in neurological applications, particularly in modulating neurotransmitter systems. This aligns with trending searches for "pyrimidine-based neuroprotective agents" and "small molecules for cognitive enhancement." The compound's ability to cross the blood-brain barrier in certain formulations has made it a subject of interest for neurodegenerative disease research.
From a regulatory standpoint, 4433-40-3 is generally recognized as safe for research purposes when handled according to standard laboratory protocols. Its inclusion in various compound libraries has facilitated virtual screening projects, responding to the growing demand for "in silico drug discovery platforms." The compound's well-defined crystal structure, available in major chemical databases, supports molecular modeling studies.
Future research directions for 5-(hydroxymethyl)pyrimidine-2,4-diol may focus on its potential in RNA therapeutics, an area experiencing exponential growth. The compound's structural similarity to modified nucleosides used in mRNA vaccines positions it as a candidate for next-generation nucleic acid-based medicines. This connection to cutting-edge biotechnology answers frequent queries about "pyrimidine chemistry in vaccine development" and "small molecule adjuvants."
In analytical applications, derivatives of CAS No. 4433-40-3 have shown promise as fluorescent probes for detecting metal ions, addressing the need for "selective chemosensors" in environmental monitoring. The compound's ability to form stable complexes with transition metals has opened new avenues in materials science, particularly in designing functionalized surfaces for biosensing applications.
The synthesis and scale-up processes for 5-(hydroxymethyl)pyrimidine-2,4-diol continue to evolve, with recent innovations focusing on catalytic methods that reduce waste generation. These advancements respond to the pharmaceutical industry's push toward "green synthetic routes" and "atom-efficient transformations." Process chemists are actively optimizing routes to improve yield while maintaining the compound's high purity standards.
As research into 4433-40-3 progresses, its potential in personalized medicine becomes increasingly apparent. The compound's modifiable structure allows for the creation of targeted derivatives, answering the demand for "structure-activity relationship studies" in drug discovery. Its applications span from small molecule inhibitors to prodrug formulations, demonstrating remarkable versatility in medicinal chemistry.
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