Tert-butyl 3-amino-4-formylpyridine-2-carboxylate

Base Information

• Chemical Name: Tert-butyl 3-amino-4-formylpyridine-2-carboxylate
• CAS No.: 304873-65-2
• Molecular Formula: C11H14 N2 O3
• Molecular Weight: 222.244
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10692970
• Wikidata: Q72479438
• Mol file: 304873-65-2.mol

Synonyms:DTXSID10692970;tert-butyl 3-amino-4-formylpyridine-2-carboxylate

Chemical Property of Tert-butyl 3-amino-4-formylpyridine-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000666mmHg at 25°C
• Melting Point: 125-126℃
• Refractive Index: 1.579
• Boiling Point: 308.8°Cat760mmHg
• PKA: 12.20±0.70(Predicted)
• Flash Point: 140.5°C
• PSA: 71.78000
• Density: 1.212g/cm³
• LogP: 2.25470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(4-Formylpyridin-2-yl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=NC=CC(=C1N)C=O

Technology Process of Tert-butyl 3-amino-4-formylpyridine-2-carboxylate

There total 9 articles about Tert-butyl 3-amino-4-formylpyridine-2-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

(4-hydroxymethylpyridin-2-yl)carbamic acid tert-butyl ester (304873-62-9) → 2-[N,N-mono-(tert-butoxycarbonyl)amino]-pyridyl-4-aldehyde (304873-65-2)

Guidance literature:

With sodium hypochlorite; sodium hydrogencarbonate; sodium bromide; 2,2,6,6-tetramethyl-piperidine-N-oxyl; In dichloromethane; at 0 ℃; for 0.333333h;

DOI:10.1055/s-2007-983817

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → 2-[N,N-mono-(tert-butoxycarbonyl)amino]-pyridyl-4-aldehyde (304873-65-2)

Guidance literature:

Multi-step reaction with 3 steps

1: dmap / tert-butyl alcohol; acetone / 15 h / 20 °C

2: sodium tetrahydroborate; calcium chloride / ethanol / 7 h / 20 °C

3: Dess-Martin periodane / dichloromethane / 15 h

With dmap; sodium tetrahydroborate; Dess-Martin periodane; calcium chloride; In ethanol; dichloromethane; acetone; tert-butyl alcohol;

DOI:10.1039/c3ob27449g

Reference yield:

methyl 2-aminoisonicotinate (6937-03-7) → 2-[N,N-mono-(tert-butoxycarbonyl)amino]-pyridyl-4-aldehyde (304873-65-2)

Guidance literature:

Multi-step reaction with 3 steps

1: dmap / tert-butyl alcohol; acetone / 15 h / 20 °C

2: sodium tetrahydroborate; calcium chloride / ethanol / 7 h / 20 °C

3: Dess-Martin periodane / dichloromethane / 15 h

With dmap; sodium tetrahydroborate; Dess-Martin periodane; calcium chloride; In ethanol; dichloromethane; acetone; tert-butyl alcohol;

DOI:10.1039/c3ob27449g

upstream raw materials:

(4-hydroxymethylpyridin-2-yl)carbamic acid tert-butyl ester

methyl 2-aminoisonicotinate

methyl 2-[(tert-butoxycarbonyl)amino]isonicotinate

di-tert-butyl dicarbonate

Downstream raw materials:

(4-hydroxymethylpyridin-2-yl)carbamic acid tert-butyl ester

C₃₃H₃₄N₈O₃

(E)-ethyl 3-(2-(tert-butoxycarbonylamino)pyridin-4-yl)-2-phenyl-acrylate

(E)-ethyl 3-(2-aminopyridin-4-yl)-2-phenyl acrylate

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