Ethyl 1-Boc-3-piperidinecarboxylate - CAS 130250-54-3
Catalog: |
BB007071 |
Product Name: |
Ethyl 1-Boc-3-piperidinecarboxylate |
CAS: |
130250-54-3 |
Synonyms: |
Boc-DL-Pic(3)-OEt; Boc-DL-Nipc-Oet; Ethyl N-Boc-piperidine-3-carboxylate; Ethyl N-Boc-3-piperidinecarboxylate; N-(t-Butoxycarbonyl)-DL-nipecotic acid ethyl ester; (±)-1-(t-Butoxycarbonyl)piperidine-3-carboxylic acid ethyl ester |
IUPAC Name: | 1-O-tert-butyl 3-O-ethyl piperidine-1,3-dicarboxylate |
Description: | A reagent used in the synthesis of piperidine derivatives, and α-sulfonyl hydroxamic acid derivatives as matrix metalloproteinase (MMP) and TNF-alpha converting enzyme (TACE) inhibitors. |
Molecular Weight: | 257.33 |
Molecular Formula: | C13H23NO4 |
Canonical SMILES: | CCOC(=O)C1CCCN(C1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C13H23NO4/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3 |
InChI Key: | YCXCRFGBFZTUSU-UHFFFAOYSA-N |
Boiling Point: | 323.9 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.077 g/cm3 |
Appearance: | White crystalline power |
Storage: | Store at 2-8 °C |
MDL: | MFCD04116274 |
LogP: | 2.13450 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021026803-A1 | Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents | 20190814 |
WO-2021028854-A1 | Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents | 20190814 |
WO-2020223715-A1 | Substituted (piperidin-1-yl)aryl analogues for modulating avilactivity | 20190502 |
US-2021107904-A1 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | 20181130 |
WO-2019177975-A1 | Antibiotics effective for gram-negative pathogens | 20180312 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.16270821 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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