tert-Butyl (4-formyl-2-methoxypyridin-3-yl)carbamate

Base Information

• Chemical Name: tert-Butyl (4-formyl-2-methoxypyridin-3-yl)carbamate
• CAS No.: 162709-22-0
• Molecular Formula: C₁₂H₁₆N₂O₄
• Molecular Weight: 252.27
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70437263
• Nikkaji Number: J662.164C
• Wikidata: Q82252738
• Mol file: 162709-22-0.mol

Synonyms:162709-22-0;tert-Butyl (4-formyl-2-methoxypyridin-3-yl)carbamate;tert-butyl 4-formyl-2-methoxypyridin-3-ylcarbamate;TERT-BUTYL N-(4-FORMYL-2-METHOXYPYRIDIN-3-YL)CARBAMATE;tert-Butyl(4-formyl-2-methoxypyridin-3-yl)carbamate;SCHEMBL1724391;DTXSID70437263;AB59878;AM807699;Y13574;N-[4-Formyl-2-methoxypyridin-3-yl]carbamic acid tert-butyl ester

Chemical Property of tert-Butyl (4-formyl-2-methoxypyridin-3-yl)carbamate

Chemical Property:

• Boiling Point: 334.1±42.0 °C(Predicted)
• PKA: 11.79±0.70(Predicted)
• PSA: 81.01000
• Density: 1.216±0.06 g/cm3(Predicted)
• LogP: 2.26330
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 252.11100700
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl(4-formyl-2-methoxypyridin-3-yl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=C(C=CN=C1OC)C=O

Technology Process of tert-Butyl (4-formyl-2-methoxypyridin-3-yl)carbamate

There total 6 articles about tert-Butyl (4-formyl-2-methoxypyridin-3-yl)carbamate 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: 91.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3-(N-tert-butoxycarbonylamino)-2-methoxypyridine (161117-83-5) → 4-Formyl-2-methoxy-3-pyridinecarbamic acid 1,1-dimethylethyl ester (162709-22-0)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In diethyl ether; hexane; 1.) -78 to -10 deg C, 2 h, 2.) -78 deg C to r.t., 3 h;

DOI:10.1021/jo00111a056

Reference yield:

3-amino-2-methoxypyridine (20265-38-7) → 4-Formyl-2-methoxy-3-pyridinecarbamic acid 1,1-dimethylethyl ester (162709-22-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

2.1: N,N,N,N,-tetramethylethylenediamine; n-butyllithium / tetrahydrofuran / 2 h / -78 °C / Inert atmosphere

2.2: 0.5 h / -40 °C / Inert atmosphere

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; triethylamine; In tetrahydrofuran;

Reference yield:

N-Formylpiperidine (2591-86-8) + 3-(N-tert-butoxycarbonylamino)-2-methoxypyridine (161117-83-5) → 4-Formyl-2-methoxy-3-pyridinecarbamic acid 1,1-dimethylethyl ester (162709-22-0)

Guidance literature:

3-(N-tert-butoxycarbonylamino)-2-methoxypyridine; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 - 20 ℃;

N-Formylpiperidine; In tetrahydrofuran; pentane; at -15 - 20 ℃;

upstream raw materials:

N,N-dimethyl-formamide

3-(N-tert-butoxycarbonylamino)-2-methoxypyridine

N-Formylpiperidine

di-tert-butyl dicarbonate

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