Methyl 3-((tert-butoxycarbonyl)amino)propanoate

Base Information

• Chemical Name: Methyl 3-((tert-butoxycarbonyl)amino)propanoate
• CAS No.: 42116-55-2
• Molecular Formula: C9H17NO4
• Molecular Weight: 203.238
• Hs Code.: 2924199090
• European Community (EC) Number: 817-772-7
• DSSTox Substance ID: DTXSID80470606
• Nikkaji Number: J1.108.113D
• Wikidata: Q82298760
• Mol file: 42116-55-2.mol

Synonyms:42116-55-2;Methyl 3-((tert-butoxycarbonyl)amino)propanoate;Methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;Methyl 3-(tert-butoxycarbonylaMino)propanoate;MFCD12198407;Methyl 3-(Boc-amino)propanoate;N-Boc-beta-Alanine-methyl ester;Methyl 3-([(tert-butoxy)carbonyl]amino)propanoate;methyl 3-{[(tert-butoxy)carbonyl]amino}propanoate;Methyl3-((tert-butoxycarbonyl)amino)propanoate;SCHEMBL1256643;DTXSID80470606;GUYURTCMYDHGKH-UHFFFAOYSA-N;AKOS009019070;DS-6235;SY184612;methyl 3-t-butyloxycarbonylamino-propionate;methyl3-tert-butoxycarbonylamino-propionate;methyl 3-tert-butoxycarbonylamino-propionate;CS-0154373;FT-0709538;EN300-60129;C75127;N-(t-butyloxycarbonyl)-beta-alanine methyl ester;A913405;Z98579239

Chemical Property of Methyl 3-((tert-butoxycarbonyl)amino)propanoate

Chemical Property:

• Boiling Point: 292.4±23.0 °C(Predicted)
• PKA: 11.82±0.46(Predicted)
• PSA: 68.12000
• Density: 1.053±0.06 g/cm3(Predicted)
• LogP: 1.27860
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 203.11575802
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

methyl3-{[(tert-butoxy)carbonyl]amino}propanoate ^*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)OC

Technology Process of Methyl 3-((tert-butoxycarbonyl)amino)propanoate

There total 15 articles about Methyl 3-((tert-butoxycarbonyl)amino)propanoate 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + methyl 3-aminopropanoate (4138-35-6) → methyl 3-tert-butoxycarbonylaminopropionate (42116-55-2)

Guidance literature:

In methanol;

DOI:10.1016/S0040-4039(01)00358-6

Reference yield: 98.7%

3-(tert-butyloxycarbonylamino)propionic acid (3303-84-2) + dimethyl sulfate (77-78-1) → methyl 3-tert-butoxycarbonylaminopropionate (42116-55-2)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 3h;

DOI:10.1016/j.ejmech.2020.112364

Reference yield: 96.0%

3-(tert-butyloxycarbonylamino)propionic acid (3303-84-2) + methyl iodide (74-88-4) → methyl 3-tert-butoxycarbonylaminopropionate (42116-55-2)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; at 70 ℃; for 16h;

DOI:10.1021/ol0609356

upstream raw materials:

methyl hydrogen succinate

tert-butyl alcohol

3-(tert-butyloxycarbonylamino)propionic acid

methyl iodide

Downstream raw materials:

4-Carbomethoxypyrrolidine-2,3-dione

(3-oxo-3-phenylpropyl)carbamic acid tert-butyl ester

N-(tert-butoxycarbonyl)-3-aminopropanal

methyl 3-aminopropanoate