Cas no 54045-74-8 (Methyl 2-bromothiazole-5-carboxylate)
Methyl 2-bromothiazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-bromothiazole-5-carboxylate
- Methyl 2-bromo-1,3-thiazole-5-carboxylate
- 2-Bromothiazole-5-carboxylic acid methyl ester
- 2-Bromothiazole-5-carboxylic acid
-
- MDL: MFCD03788565
- Inchi: 1S/C5H4BrNO2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3
- InChI Key: HNLVIKMXFBRZDF-UHFFFAOYSA-N
- SMILES: BrC1=NC=C(C(=O)OC)S1
Computed Properties
- Exact Mass: 220.91500
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
Experimental Properties
- Melting Point: 59.0 to 63.0 deg-C
- Boiling Point: 263.3°C at 760 mmHg
- Flash Point: 113℃
- PSA: 67.43000
- LogP: 1.69220
Methyl 2-bromothiazole-5-carboxylate 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
- Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36/37/39
-
Hazardous Material Identification:
- Storage Condition:Inert atmosphere,2-8°C
- Safety Term:S26-S36/37/39
- Risk Phrases:R36/37/38
Methyl 2-bromothiazole-5-carboxylate Customs Data
- HS CODE:2934100090
- Customs Data:
China Customs Code:
2934100090Overview:
2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
Methyl 2-bromothiazole-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 016168-1g |
Methyl 2-bromothiazole-5-carboxylate |
54045-74-8 | 95% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 016168-5g |
Methyl 2-bromothiazole-5-carboxylate |
54045-74-8 | 95% | 5g |
£19.00 | 2022-03-01 | |
| Fluorochem | 016168-10g |
Methyl 2-bromothiazole-5-carboxylate |
54045-74-8 | 95% | 10g |
£34.00 | 2022-03-01 | |
| Fluorochem | 016168-25g |
Methyl 2-bromothiazole-5-carboxylate |
54045-74-8 | 95% | 25g |
£68.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M133482-25g |
Methyl 2-bromothiazole-5-carboxylate |
54045-74-8 | 98% | 25g |
¥517.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M133482-5g |
Methyl 2-bromothiazole-5-carboxylate |
54045-74-8 | 98% | 5g |
¥109.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M133482-1g |
Methyl 2-bromothiazole-5-carboxylate |
54045-74-8 | 98% | 1g |
¥29.90 | 2023-09-02 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R010710-25g |
Methyl 2-bromothiazole-5-carboxylate |
54045-74-8 | 95% | 25g |
¥470 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R010710-5g |
Methyl 2-bromothiazole-5-carboxylate |
54045-74-8 | 95% | 5g |
¥101 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R010710-1g |
Methyl 2-bromothiazole-5-carboxylate |
54045-74-8 | 95% | 1g |
¥29 | 2024-05-22 |
Methyl 2-bromothiazole-5-carboxylate Suppliers
Methyl 2-bromothiazole-5-carboxylate Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
Additional information on Methyl 2-bromothiazole-5-carboxylate
Comprehensive Overview of Methyl 2-bromothiazole-5-carboxylate (CAS No. 54045-74-8)
Methyl 2-bromothiazole-5-carboxylate (CAS No. 54045-74-8) is a versatile heterocyclic compound widely utilized in pharmaceutical, agrochemical, and material science research. As a brominated thiazole derivative, it serves as a critical building block for synthesizing complex molecules due to its reactive bromine and ester functional groups. The compound's unique structure enables applications in drug discovery, catalysis, and organic synthesis, aligning with current trends in green chemistry and sustainable manufacturing.
In recent years, the demand for Methyl 2-bromothiazole-5-carboxylate has surged, driven by its role in developing biologically active compounds. Researchers frequently search for "thiazole derivatives in medicinal chemistry" or "CAS 54045-74-8 applications," reflecting its relevance in anticancer and antimicrobial agent development. Its electron-withdrawing properties make it valuable for designing small-molecule inhibitors, a hotspot in precision medicine.
The synthesis of Methyl 2-bromothiazole-5-carboxylate typically involves bromination of thiazole precursors followed by esterification. Optimizing its yield and purity is a common query among chemists, with techniques like column chromatography and NMR spectroscopy being pivotal. Discussions on platforms like ResearchGate often highlight its use in cross-coupling reactions, such as Suzuki-Miyaura or Sonogashira couplings, underscoring its adaptability in palladium-catalyzed transformations.
From an industrial perspective, 54045-74-8 is gaining traction in high-performance material design, particularly for organic electronics and liquid crystals. Its incorporation into π-conjugated systems enhances charge transport properties, a key focus in OLED and solar cell research. Environmental considerations also drive interest in its biodegradability and low-toxicity profile, addressing ESG (Environmental, Social, and Governance) metrics in chemical production.
Safety protocols for handling Methyl 2-bromothiazole-5-carboxylate emphasize standard laboratory practices, including glovebox use and ventilation. While not classified as hazardous under normal conditions, its bromine content warrants careful disposal to align with REACH regulations. This aligns with growing searches for "safe handling of brominated compounds" and "eco-friendly synthetic routes," reflecting industry shifts toward responsible innovation.
In summary, Methyl 2-bromothiazole-5-carboxylate (CAS No. 54045-74-8) exemplifies the intersection of synthetic utility and multidisciplinary applicability. Its prominence in patent literature and academic publications confirms its status as a cornerstone in modern organic chemistry, continuously evolving to meet the demands of cutting-edge research and industrial applications.
54045-74-8 (Methyl 2-bromothiazole-5-carboxylate) Related Products
- 32955-22-9(ethyl 1,3-thiazole-5-carboxylate)
- 2172443-89-7(2-(2-bromo-1,3-thiazol-5-yl)methoxyacetic acid)
- 918164-43-9(methyl 2,4-dibromothiazole-5-carboxylate)
- 54045-76-0(2-bromo-1,3-thiazole-5-carboxylic acid)
- 687636-94-8(2-bromo-5-(methoxymethyl)-1,3-thiazole)
- 848500-45-8(Ethyl 2,4-dibromothiazole-5-carboxylate)
- 14527-44-7(Methyl thiazole-5-carboxylate)
- 22900-83-0(ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate)
- 41731-83-3(Ethyl 2-bromothiazole-5-carboxylate)
- 81569-51-9(methyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate)