CAS Number218301-87-2
SynonymsCarbamic acid, N-(4-borono-2-fluorophenyl)-, 1,1-dimethylethyl ester; {4-[(tert-Butoxycarbonyl)amino]-3-fluorophenyl}boronic acid; [3-Fluoro-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]boronic acid; N-Boc-4-amino-3-fluorophenylboronic acid; 4-N-Boc-amino-3-fluorophenylboronic acid; 3-fluoro-4-tert-butoxycarbonylamino-phenylboronic acid; 4-N-Boc-amino-3-fluorobenzeneboronic acid
Molecular FormulaC11H15BFNO4
Molecular Weight255.051
Purity98.00%
Density1.2±0.1 g/cm3
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 218301-87-2 |
| Catalog No. | 2A-9055666 |
| Chinese Name | 4-N-Boc-氨基-3-氟硼酸 |
| Synonyms | Carbamic acid, N-(4-borono-2-fluorophenyl)-, 1,1-dimethylethyl ester; {4-[(tert-Butoxycarbonyl)amino]-3-fluorophenyl}boronic acid; [3-Fluoro-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]boronic acid; N-Boc-4-amino-3-fluorophenylboronic acid; 4-N-Boc-amino-3-fluorophenylboronic acid; 3-fluoro-4-tert-butoxycarbonylamino-phenylboronic acid; 4-N-Boc-amino-3-fluorobenzeneboronic acid |
| Molecular Formula | C11H15BFNO4 |
| Molecular Weight | 255.051 |
| Purity | 98.00 |
| Density | 1.2±0.1 g/cm3 |
| Storage Condition | Room temperature. |
| HTC | 2931900090 |
| SMILES | CC(C)(C)OC(=O)Nc1ccc(B(O)O)cc1F |
| InChI Key | KZDXWWVPJSNDSD-UHFFFAOYSA-N |
| MSDS | msds/55666_1_218301_87_2.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, under −20◦C. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C11H15BFNO4 Molecular weight:255.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information HS Code 2931900090 Synthetic Route Total: 1 Page N-Boc-4-Bromo-2... CAS#:209958-42-9 4-N-Boc-amino-3... CAS#:218301-87-2 Trimethyl borate CAS#:121-43-7 4-N-Boc-amino-3... CAS#:218301-87-2 Literature: Bayer Schering Pharma Aktiengesellschaft Patent: EP1878726 A1, 2008 ; Location in patent: Page/Page column 38 ; EP 1878726 A1 Precursor & DownStream Precursor 2 CAS#:209958-42-9 N-Boc-4-Bromo-2... CAS#:121-43-7 Trimethyl borate DownStream 2 CAS#:218301-88-3 2-FLUORO-4-(2-M... CAS#:262444-42-8 tert-butyl-2-fl... |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: (4-((tert-butoxycarbonyl)amino)-3-fluorophenyl)boronic acid |
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