3-((tert-Butoxycarbonyl)amino)-3-(6-chloropyridin-3-yl)propanoic acid

Base Information

• Chemical Name: 3-((tert-Butoxycarbonyl)amino)-3-(6-chloropyridin-3-yl)propanoic acid
• CAS No.: 252989-87-0
• Molecular Formula: C₁₃H₁₇ClN₂O₄
• Molecular Weight: 300.742
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30440874
• Mol file: 252989-87-0.mol

Synonyms:252989-87-0;3-((tert-Butoxycarbonyl)amino)-3-(6-chloropyridin-3-yl)propanoic acid;3-(6-chloropyridin-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;3-[(tert-butoxycarbonyl)amino]-3-(6-chloropyridin-3-yl)propanoic acid;DTXSID30440874;3-((tert-Butoxycarbonyl)amino)-3-(6-chloropyridin-3-yl)propanoicacid;AKOS015920119;BS-52979;CS-0144776;N13277

Chemical Property of 3-((tert-Butoxycarbonyl)amino)-3-(6-chloropyridin-3-yl)propanoic acid

Chemical Property:

• Boiling Point: 486.6±45.0 °C(Predicted)
• PKA: 4.00±0.10(Predicted)
• PSA: 88.52000
• Density: 1.284±0.06 g/cm3(Predicted)
• LogP: 3.16640
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 300.0876847
• Heavy Atom Count: 20
• Complexity: 357

Purity/Quality:

97% ^*data from raw suppliers

3-((tert-Butoxycarbonyl)amino)-3-(6-chloropyridin-3-yl)propanoic acid 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)NC(CC(=O)O)C1=CN=C(C=C1)Cl

Technology Process of 3-((tert-Butoxycarbonyl)amino)-3-(6-chloropyridin-3-yl)propanoic acid

There total 4 articles about 3-((tert-Butoxycarbonyl)amino)-3-(6-chloropyridin-3-yl)propanoic 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:

di-tert-butyl dicarbonate (24424-99-5) + 3-amino-3-(6-chloro-pyridin-3-yl)-propionic acid (297773-48-9) → N-Boc-3-amino-3-(6-chloro-3-pyridyl)propionic acid (252989-87-0)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 23 ℃; for 3h;

DOI:10.1021/jm990418b

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 3-amino-3-(6-chloro-pyridin-3-yl)-propionic acid (297773-48-9) → (S)-N-Boc-3-amino-3-(6-chloro-3-pyridyl)propionic acid (297773-52-5,252989-87-0)

Guidance literature:

di-tert-butyl dicarbonate; 3-amino-3-(6-chloro-pyridin-3-yl)-propionic acid; With sodium hydroxide; In 1,4-dioxane; at 23 ℃; for 3h;

with (1R,2S)-(-)-ephedrine;

DOI:10.1021/jm990418b

Reference yield:

6-chloronicotinylaldehyde (23100-12-1) → N-Boc-3-amino-3-(6-chloro-3-pyridyl)propionic acid (252989-87-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₄OAc / ethanol / 6 h / Heating

2: aq. NaOH / dioxane / 3 h / 23 °C

With sodium hydroxide; ammonium acetate; In 1,4-dioxane; ethanol; 1: Condensation / 2: Acylation;

DOI:10.1021/jm990418b

upstream raw materials:

di-tert-butyl dicarbonate

3-amino-3-(6-chloro-pyridin-3-yl)-propionic acid

6-chloronicotinylaldehyde

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