6-[(TERT-BUTOXYCARBONYL)AMINO]NICOTINIC ACID

Base Information

• Chemical Name: 6-[(TERT-BUTOXYCARBONYL)AMINO]NICOTINIC ACID
• CAS No.: 231958-14-8
• Molecular Formula: C11H14N2O4
• Molecular Weight: 238.243
• Hs Code.: 2933399090
• Mol file: 231958-14-8.mol

Synonyms:3-pyridinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-; 6-[(tert-Butoxycarbonyl)amino]nicotinic acid

Chemical Property of 6-[(TERT-BUTOXYCARBONYL)AMINO]NICOTINIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 292-296°C
• Boiling Point: 356.497°C at 760 mmHg
• PKA: 12.92±0.70(Predicted)
• Flash Point: 169.404°C
• PSA: 88.52000
• Density: 1.293g/cm³
• LogP: 2.19980
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

6-Aminonicotinic acid, 6-Boc protected ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-[(TERT-BUTOXYCARBONYL)AMINO]NICOTINIC ACID

There total 6 articles about 6-[(TERT-BUTOXYCARBONYL)AMINO]NICOTINIC ACID 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: 89.0%

methyl 6-<(tert-butyloxycarbonyl)amino>nicotinoate (144186-11-8) → 6-[(tert-butoxycarbonyl)amino]nicotinic acid (231958-14-8)

Guidance literature:

With methanol; water; sodium hydroxide; at 20 - 60 ℃; for 22h;

Reference yield: 73.0%

6-((tert-butoxycarbonyl)amino)nicotinic acid ethyl ester (169280-82-4) → 6-[(tert-butoxycarbonyl)amino]nicotinic acid (231958-14-8)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 12h;

Reference yield:

methyl 6-aminonicotinoate (36052-24-1) → 6-[(tert-butoxycarbonyl)amino]nicotinic acid (231958-14-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dmap / tetrahydrofuran / 20 °C

2.1: sodium hydroxide; water / ethanol; tetrahydrofuran / 55 °C

2.2: pH 2

With dmap; water; sodium hydroxide; In tetrahydrofuran; ethanol;

upstream raw materials:

methyl 6-<(tert-butyloxycarbonyl)amino>nicotinoate

tert-butyldicarbonate

methyl 6-aminonicotinoate

di-tert-butyl dicarbonate

Downstream raw materials:

ethyl-6-amino-nicotinate

3-[2-[6-(tert-butoxycarbonylamino)-pyridine-3-carbonylamino]-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-ethyl]-2-methoxy-benzoic acid tert-butyl ester

C₁₈H₂₀ClN₃O₃

C₂₃H₂₄Cl₂N₆O₃

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