1-Boc-3-cyanoazetidine - CAS 142253-54-1
Catalog: |
BB009331 |
Product Name: |
1-Boc-3-cyanoazetidine |
CAS: |
142253-54-1 |
Synonyms: |
3-cyano-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-cyanoazetidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-cyanoazetidine-1-carboxylate |
Description: | 1-(N-Boc)-3-cyanoazetidine can be used as reagent/reactant for preparation and SAR of pyridinylmethanol derivatives as TRPV3 antagonists. It can also be used as reagent/reactant for preparation of substituted pyridines via nucleophilic aromatic substitution of cyanopyridines with disubstituted esters and nitriles. |
Molecular Weight: | 182.22 |
Molecular Formula: | C9H14N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C1)C#N |
InChI: | InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,5-6H2,1-3H3 |
InChI Key: | WEFREESWPHICPL-UHFFFAOYSA-N |
Boiling Point: | 290.154 °C at 760 mmHg |
Density: | 1.113 g/cm3 |
MDL: | MFCD06796640 |
LogP: | 1.31478 |
GHS Hazard Statement: | H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112679369-A | Preparation method of (S) -2- (adamantane-1-yl) -2-glycine hydrochloride | 20201229 |
CN-112552222-A | Preparation method of 2- (2- (tert-butoxycarbonyl) -2-azaspiro [3.4] octane-5-yl) acetic acid | 20201218 |
CN-112574085-A | Preparation method of 5-amino-2-azaspiro [3.4] octane-2-carboxylic acid tert-butyl ester | 20201218 |
US-2021094973-A1 | Heterocyclic compounds | 20190924 |
WO-2021058445-A1 | New heterocyclic monoacylglycerol lipase (magl) inhibitors | 20190924 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.105527694 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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