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tert-Butyl 4-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)piperidine-1-carboxylate - 98%, high purity , CAS No.1425970-61-1
Basic Description
Synonyms | 1425970-61-1 | N-BOC-Piperidin-4-ylmethyleneboronic acid pinacol ester | tert-butyl 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-ylmethylene)-piperidine-1-carboxylate | 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-ylmethylene)-piperidine-1-carboxylic acid |
Specifications & Purity | ≥98% |
Storage Temp | Protected from light,Store at -20°C,Argon charged |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | tert-butyl 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]piperidine-1-carboxylate |
INCHI | InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-10-8-13(9-11-19)12-18-22-16(4,5)17(6,7)23-18/h12H,8-11H2,1-7H3 |
InChi Key | RJANMUJZJKCWID-UHFFFAOYSA-N |
Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C=C2CCN(CC2)C(=O)OC(C)(C)C |
Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C=C2CCN(CC2)C(=O)OC(C)(C)C |
Alternate CAS | 1425970-61-1 |
PubChem CID | 56973587 |
Molecular Weight | 323.23 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 323.200 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 3 |
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Exact Mass | 323.227 Da |
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Monoisotopic Mass | 323.227 Da |
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Topological Polar Surface Area | 48.000 Ų |
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Heavy Atom Count | 23 |
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Formal Charge | 0 |
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Complexity | 467.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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