3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid

Base Information

• Chemical Name: 3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid
• CAS No.: 172299-81-9
• Molecular Formula: C₉H₁₇NO₅
• Molecular Weight: 219.238
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID40703866
• Nikkaji Number: J1.156.991I
• Wikidata: Q72470162
• Mol file: 172299-81-9.mol

Synonyms:172299-81-9;3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid;N-Boc-N-methoxy-3-aminopropionic acid;3-[methoxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;b-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-N-methoxy-;3-(tert-butoxycarbonyl(methoxy)amino)propanoic acid;3-{[(tert-butoxy)carbonyl](methoxy)amino}propanoic acid;DTXSID40703866;AMY21417;MFCD04112593;AKOS015909961;DS-14423;A3798;CS-0154812;FT-0604035;F30031;N-(tert-Butoxycarbonyl)-N-methoxy-beta-alanine;EN300-6729378;J-523517;3-[(tert-Butoxycarbonyl)(methoxy)amino]propionic acid

Chemical Property of 3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid

Chemical Property:

• Boiling Point: 327.789 °C at 760 mmHg
• PKA: 4.46±0.10(Predicted)
• Flash Point: 152.042 °C
• PSA: 76.07000
• Density: 1.161g/cm³
• LogP: 1.25960
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 219.11067264
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

98%min ^*data from raw suppliers

3-((tert-Butoxycarbonyl)(methoxy)amino)propanoicacid 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)N(CCC(=O)O)OC

Technology Process of 3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid

There total 2 articles about 3-((tert-Butoxycarbonyl)(methoxy)amino)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:

3-amino-N-tert-butoxycarbonyl-N-methoxy-propionic acid benzyl ester → 3-amino-N-tert-butoxycarbonyl-N-methoxy-propionic acid (172299-81-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 3h;

DOI:10.1016/0040-4039(95)01646-Y

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → 3-amino-N-tert-butoxycarbonyl-N-methoxy-propionic acid (172299-81-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / 1 M NaOH / dioxane; H₂O / 3 h

2: 12.23 g / H₂ / Pd/C / ethanol / 3 h

With sodium hydroxide; hydrogen; palladium on activated charcoal; In 1,4-dioxane; ethanol; water;

DOI:10.1021/jo962408d

upstream raw materials:

di-tert-butyl dicarbonate

Refernces

• 1、 Fehrentz, Jean-Alain,Paris, Marielle,Heitz, Annie,Velek, Jiri,Liu, Chuan-Fa,et al.. "Improved solid phase synthesis of C-terminal peptide aldehydes". . p. 7871 - 7874. Retrieved 1995.