Boc-beta-alanine 4-nitrophenyl ester

Base Information

• Chemical Name: Boc-beta-alanine 4-nitrophenyl ester
• CAS No.: 17547-09-0
• Molecular Formula: C14H18N2O6
• Molecular Weight: 310.3
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90400277
• Nikkaji Number: J1.376.228G
• Wikidata: Q72509674
• Mol file: 17547-09-0.mol

Synonyms:Boc-beta-alanine 4-nitrophenyl ester;17547-09-0;Boc-b-Ala-ONp;(4-nitrophenyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;BOC-BETA-ALA-ONP;4-nitrophenyl 3-{[(tert-butoxy)carbonyl]amino}propanoate;4-Nitrophenyl 3-((tert-butoxycarbonyl)amino)propanoate;SCHEMBL9228347;DTXSID90400277;NQNGYJVVBTUENI-UHFFFAOYSA-N;4-nitrophenyl 3-[[(1,1-dimethylethoxy)carbonyl]amino]propionate;MFCD00057613;AKOS015833430;AS-63005;FT-0651036;4-nitrophenyl 3-(tert-butoxycarbonylamino)propanoate;N-(tert-Butoxycarbonyl)-beta-alanine 4-nitrophenyl ester

Chemical Property of Boc-beta-alanine 4-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 4.08E-09mmHg at 25°C
• Refractive Index: 1.529
• Boiling Point: 473 °C at 760 mmHg
• Flash Point: 239.9 °C
• PSA: 110.45000
• Density: 1.239 g/cm³
• LogP: 3.32910
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 310.11648630
• Heavy Atom Count: 22
• Complexity: 405

Purity/Quality:

98%Min ^*data from raw suppliers

Boc-b-Ala-ONp 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Boc-beta-alanine 4-nitrophenyl ester

There total 1 articles about Boc-beta-alanine 4-nitrophenyl ester 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:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 3-(tert-butyloxycarbonylamino)propionic acid (3303-84-2) → 4-nitrophenyl 3-((tertbutoxycarbonyl)amino)propanoate (17547-09-0)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In ethyl acetate;

DOI:10.1248/cpb.46.846

Reference yield: 84.0%

2-methoxy-phenylamine (90-04-0) + 4-nitrophenyl 3-((tertbutoxycarbonyl)amino)propanoate (17547-09-0) → [2-(2-methoxy-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester (1016506-87-8)

Guidance literature:

With dmap; In acetonitrile;

DOI:10.1002/jlcr.481

Reference yield: 64.0%

4-nitrophenyl 3-((tertbutoxycarbonyl)amino)propanoate (17547-09-0) → β-alanine 4-nitrophenyl ester perchlorate

Guidance literature:

With perchloric acid; In ethanol; for 1h;

DOI:10.1021/ja00329a059

upstream raw materials:

4-nitro-phenol

3-(tert-butyloxycarbonylamino)propionic acid

Downstream raw materials:

[2-(2-methoxy-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester

C₃₁H₃₄N₄O₈