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TERT-BUTYL 3-FORMYLPYRIDIN-4-YLCARBAMATE

CAS：116026-93-8
MW:222.244
MF：C11H14N2O3

TERT-BUTYL 3-FORMYLPYRIDIN-4-YLCARBAMATE, with the chemical formula C12H16N2O3 and CAS registry number 116026-93-8, is a compound known for its applications in various chemical processes. This white solid, also referred to as Tert-butyl 3-pyridylcarbamate, is characterized by its tert-butyl, formyl, and pyridyl functional groups. It is commonly used as a reagent in organic synthesis, offering a versatile platform for the introduction of the tert-butyl, formyl, and pyridyl moieties into different molecules.

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Names and ldentifier
Properties
Safety and Handling
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: TERT-BUTYL 3-FORMYLPYRIDIN-4-YLCARBAMATE

1.2 Synonyms: (3-FORMYL-PYRIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER; 4-(BOC-AMINO)-3-FORMYLPYRIDINE; 4-AMINOPYRIDINE-3-CARBOXALDEHYDE, 4-BOC PROTECTED; N-Boc-4-amino-3-formylpyridine; N-BOC-4-AMINO-3-PYRIDINE CARBOXYALDEHYDE; N-BOC-4-AMINO-PYRIDINE-3-CARBOXALDEHYDE; TERT-BUTYL 3-FORMYLPYRIDIN-4-YLCARBAMATE;

1.3 CAS No.: 116026-93-8

1.4 CID: 819566

1.5 Molecular Formula: C11H14N2O3

1.6 Inchi: InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-4-5-12-6-8(9)7-14/h4-7H,1-3H3,(H,12,13,15)

1.7 InChkey: UFWCFTNUYXZYKE-UHFFFAOYSA-N

1.8 Canonical Smiles: CC(C)(C)OC(=O)NC1=C(C=NC=C1)C=O

1.9 Isomers Smiles: CC(C)(C)OC(=O)NC1=C(C=NC=C1)C=O

2. Properties

2.1 Appearance: Not Available

3. Safety and Handling

3.1 Specification: N-Boc-4-amino-3-pyridinecarboxyaldehyde , its cas register number is 116026-93-8. It also can be called tert-Butyl 3-formylpyridin-4-ylcarbamate .

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Synthesis Route

116026-93-8Total: 5 Synthesis Route

504-24-5

116026-93-8 52 Suppliers

24424-99-5 447 Suppliers

116026-93-8 52 Suppliers

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6. Precursor and Product

precursor:

68-12-2

24424-99-5

98400-69-2

7732-18-5

product:

42373-30-8

197507-59-8

280115-84-6

407623-72-7

197507-55-4

7. Computed Properties

Molecular Weight：222.244g/mol
Molecular Formula：C₁₁H₁₄N₂O₃
Compound Is Canonicalized：True
Exact Mass：1.4
XLogP3-AA：222.10044231
Monoisotopic Mass：222.10044231
Complexity：260
Rotatable Bond Count：4
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：68.3
Heavy Atom Count：：16
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAQAAAADEzhmgY+yJLIFACoAjx33ACCgCA1AiAI2CE4ZNkIIHrA1dGMJYhglADIycYYAQAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==