Cas no 774-07-2 (Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate)
Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate
- 4-Amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester
- Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate
- 5-Pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-2-thioxo-, ethyl ester
- ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate
- PR-619
- NSC 9308
- HMS544K22
- DTXSID20228108
- AS-9146
- 5-carbethoxy-2-thiocytosine
- SY042105
- EU-0033308
- FT-0626070
- AKOS001586544
- AMY24015
- ethyl 4-amino-2-thioxo-3H-pyrimidine-5-carboxylate
- W-203774
- Ethyl 4-imino-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- SR-01000388261-1
- SR-01000388261
- ethyl 6-amino-2-sulfanylidene-1,2-dihydropyrimidine-5-carboxylate
- AKOS000100217
- s10354
- AC-33841
- EN300-22200
- ethyl 4-amino-2-mercaptopyrimidine 5-carboxylate
- AKOS005615592
- SCHEMBL3092283
- CS-0078660
- AN-584/40148165
- NSC-9308
- ethyl 4-imino-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- ethyl 6-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate
- 774-07-2
- ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate
- 5-Pyrimidinecarboxylic acid,2-dihydro-2-thioxo-, ethyl ester
- ETHYL 4-AMINO-2-THIOXO-1,2-DIHYDRO-5-PYRIMIDINECARBOXYLATE
- 5-Pyrimidinecarboxylic acid, 4-amino-1,2-dihydro-2-thioxo-, ethyl ester
- Maybridge1_001122
- SB55770
- WLN: T6N CNJ BSH DZ EVO2
- 5-Pyrimidinecarboxylic acid, 4-amino-2,3-dihydro-2-thioxo-, ethyl ester
- Ethyl 4-amino-2-mercapto-5-pyrimidinecarboxylate
- 5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester
- CCG-15034
- ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate
- Ethyl 4-amino-2-thioxo-1,2-dihydro-pyrimidine-5-carboxylate
- BB 0217306
- ETHYL 4-AMINO-2-MERCAPROPYRIMIDINE-5-CARBOXYLATE
- NSC9308
- Ethyl 4-amino-2-sulfanyl-5-pyrimidinecarboxylate
- MFCD00023227
- STK750370
- ETHYL 4-AMINO-2-SULFANYLIDENE-1H-PYRIMIDINE-5-CARBOXYLATE
- STK258051
- AH-034/32475017
- Ethyl4-amino-2-mercapto-5-pyrimidinecarboxylate
- DB-056213
- DB-351615
- STK836117
- pyrimidine, 4-amino-5-ethoxycarbonyl-2-mercapto-
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- MDL： MFCD00023227
- Inchi： 1S/C7H9N3O2S/c1-2-12-6(11)4-3-9-7(13)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,13)
- InChI Key： DKTWKRWWQKVQQB-UHFFFAOYSA-N
- SMILES： S=C1N=CC(C(=O)OCC)=C(N)N1
- BRN： 176363
Computed Properties
- Exact Mass: 199.04200
- Monoisotopic Mass: 199.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 309
- 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: 12
- XLogP3: 0.4
- Topological Polar Surface Area: 109A^2
Experimental Properties
- Color/Form: Not determined
- Density: 1.48±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 273 oC
- Boiling Point: 329.7 ℃ at 760 mmHg
- Flash Point: 153.2°C
- Refractive Index: 1.659
- Solubility: Slightly soluble (5.2 g/l) (25 o C),
- PSA: 116.90000
- LogP: 1.10540
- Solubility: Not determined
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazard Category Code： 36/37/38
- Safety Instruction： S26-S36
- RTECS：UV7720000
-
Hazardous Material Identification：
- Safety Term：S26;S37/39
- Risk Phrases：R36/37/38
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate 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%
Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 049981-1g |
Ethyl 4-amino-2-thioxo-1,2-dihydro-pyrimidine-5-carboxylate |
774-07-2 | 0.97 | 1g |
￡34.00 | 2022-03-01 | |
| Fluorochem | 049981-5g |
Ethyl 4-amino-2-thioxo-1,2-dihydro-pyrimidine-5-carboxylate |
774-07-2 | 0.97 | 5g |
￡121.00 | 2022-03-01 | |
| Fluorochem | 049981-25g |
Ethyl 4-amino-2-thioxo-1,2-dihydro-pyrimidine-5-carboxylate |
774-07-2 | 0.97 | 25g |
￡561.00 | 2022-03-01 | |
| Matrix Scientific | 083504-1g |
Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate, 97% |
774-07-2 | 97% | 1g |
$66.00 | 2023-09-05 | |
| Matrix Scientific | 083504-10g |
Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate, 97% |
774-07-2 | 97% | 10g |
$420.00 | 2023-09-05 | |
| Chemenu | CM166682-25g |
Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate |
774-07-2 | 97% | 25g |
$355 | 2021-08-05 | |
| TRC | E898775-100mg |
Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate |
774-07-2 | 100mg |
$ 64.00 | 2023-09-07 | ||
| TRC | E898775-1g |
Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate |
774-07-2 | 1g |
$ 92.00 | 2023-09-07 | ||
| TRC | E898775-2g |
Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate |
774-07-2 | 2g |
$ 115.00 | 2023-09-07 | ||
| TRC | E898775-5g |
Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate |
774-07-2 | 5g |
$ 100.00 | 2022-06-05 |
Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
Additional information on Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate
Comprehensive Guide to Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate (CAS No. 774-07-2): Properties, Applications, and Market Trends
Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate (CAS No. 774-07-2) is a specialized pyrimidine derivative with significant applications in pharmaceutical and agrochemical research. This compound, often referred to as a pyrimidine carboxylate ester, has garnered attention due to its unique structural features and versatile reactivity. Researchers frequently search for Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate synthesis methods, CAS 774-07-2 suppliers, and its role in heterocyclic compound development.
The molecular structure of Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate contains both amino and mercapto functional groups, making it a valuable intermediate in medicinal chemistry. Recent trends in drug discovery have increased interest in thiol-containing pyrimidines, as evidenced by growing searches for bioactive pyrimidine derivatives and sulfur-containing heterocycles. The ester moiety at the 5-position enhances its solubility profile, a feature often queried in pharmaceutical solubility enhancers discussions.
In synthetic applications, CAS 774-07-2 serves as a precursor for various nucleoside analogs and enzyme inhibitors. The scientific community shows particular interest in its potential for developing kinase inhibitors, a hot topic in cancer research. Laboratory protocols frequently include questions about Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate purification and storage conditions, reflecting practical concerns in research settings.
The global market for pyrimidine derivatives like Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate has shown steady growth, driven by demand from contract research organizations and academic institutions. Search analytics reveal increasing queries about custom synthesis of pyrimidine compounds and bulk pharmaceutical intermediates. Quality parameters such as HPLC purity of CAS 774-07-2 and spectroscopic characterization data rank among top technical inquiries from purchasers.
From a chemical perspective, the mercaptopyrimidine core of this compound offers interesting tautomeric possibilities, a subject of numerous computational chemistry studies. Recent publications have explored its potential in metal coordination chemistry, responding to growing interest in ligand design for catalysis. The amino group's nucleophilic character makes it valuable for conjugate addition reactions, frequently searched in synthetic organic chemistry forums.
Environmental and handling considerations for Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate follow standard laboratory safety protocols. While not classified as hazardous, proper chemical storage guidelines and waste disposal methods remain important discussion points, as reflected in safety-related search queries. The compound's stability under various conditions is another common technical question, particularly regarding long-term storage of heterocyclic compounds.
Analytical characterization of CAS 774-07-2 typically involves NMR spectroscopy, mass spectrometry, and HPLC analysis - techniques frequently mentioned in quality control searches. The scientific literature contains numerous references to its use in developing small molecule therapeutics, aligning with current trends in targeted drug discovery. Patent analysis shows growing intellectual property activity around modified pyrimidine scaffolds containing this structural motif.
Future research directions for Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate may explore its potential in bioconjugation chemistry and proteomics applications, areas showing increased search volume. The compound's role in developing PET radiotracers and diagnostic agents represents another emerging interest area. As synthetic methodologies advance, searches for green chemistry approaches to pyrimidine synthesis continue to rise, indicating shifting priorities in chemical research.
For researchers working with CAS 774-07-2, understanding its structure-activity relationships remains crucial. The compound's hydrogen bonding capacity and tautomeric equilibrium significantly influence its biochemical interactions, topics frequently explored in medicinal chemistry webinars and drug design conferences. These fundamental properties make it a valuable building block in fragment-based drug discovery approaches.
In conclusion, Ethyl 4-Amino-2-mercaptopyrimidine-5-carboxylate represents an important synthetic intermediate with diverse applications in life sciences research. Its commercial availability from specialty chemical suppliers meets the needs of pharmaceutical developers and academic researchers alike. The compound's continued relevance is evidenced by persistent search interest in pyrimidine chemistry innovations and heterocyclic compound libraries, ensuring its place in modern chemical research.
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