Ethyl 2-((2-((tert-butoxycarbonyl)amino)ethyl)amino)acetate

Base Information

• Chemical Name: Ethyl 2-((2-((tert-butoxycarbonyl)amino)ethyl)amino)acetate
• CAS No.: 72648-80-7
• Molecular Formula: C11H22 N2 O4
• Molecular Weight: 246.307
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID80401879
• Nikkaji Number: J1.572.397A
• Wikidata: Q82205156
• Mol file: 72648-80-7.mol

Synonyms:72648-80-7;Ethyl 2-((2-((tert-butoxycarbonyl)amino)ethyl)amino)acetate;N-[2-(tert-Butoxycarbonylamino)ethyl]glycine Ethyl Ester;N-(N-beta-Boc-aminoethyl)-Gly-OEt;Ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;PNA Building Block;Peptide Nucleic Acid Building Block;N-[2-(Boc-amino)ethyl]glycine Ethyl Ester;SCHEMBL432412;ethyl N-(2-(tert-butyloxycarbonyl)aminoethyl)glycinate;DTXSID80401879;N-(N--Boc-aminoethyl)-Gly-OEt;WVFXXOLKYIPCAX-UHFFFAOYSA-N;MFCD00672310;ethyl-N-(2-boc-aminoethyl) glycinate;Glycine, N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, ethyl ester;FD21626;N-(N'-Boc-aminoethyl)glycine ethyl ester;PD197310;N-(N'--BOC-aminoethyl)glycine ethyl ester;N-(N'-Boc-aminoethyl) glycine ethyl ester;N-(N-Boc-2-aminoethyl)glycine ethyl ester;B3632;CS-0197392;FT-0756637;(t-butoxycarbonylaminoethyl)-glycine ethyl ester;A866225;ethyl[2-(boc-amino)ethylamino]acetate hydrochloride;N-(2-t-butyloxycarbonylaminoethyl)glycine ethyl ester;ethyl 2-(2-(tert-butoxycarbonylamino)ethylamino)acetate;Ethyl N-{2-[(tert-butoxycarbonyl)amino]ethyl}glycinate;Peptide Nucleic Acid Building Block, PNA Building Block;Ethyl2-((2-((tert-butoxycarbonyl)amino)ethyl)amino)acetate;(2-tert-Butoxycarbonylamino-ethylamino)-acetic acid ethylester;ethyl 2-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]acetate

Chemical Property of Ethyl 2-((2-((tert-butoxycarbonyl)amino)ethyl)amino)acetate

Chemical Property:

• Melting Point: 116-119 °C
• Refractive Index: 1.4520-1.4560
• Boiling Point: 352.0±27.0 °C(Predicted)
• PKA: 12.50±0.46(Predicted)
• PSA: 76.66000
• Density: 1.049±0.06 g/cm3(Predicted)
• LogP: 1.44560
• Storage Temp.: −20°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 246.15795719
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

N-[2-(tert-Butoxycarbonylamino)ethyl]glycine Ethyl Ester >95.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNCCNC(=O)OC(C)(C)C

Technology Process of Ethyl 2-((2-((tert-butoxycarbonyl)amino)ethyl)amino)acetate

There total 7 articles about Ethyl 2-((2-((tert-butoxycarbonyl)amino)ethyl)amino)acetate 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: 98.0%

ethyl-(2-boc-amino-ethylimino)acetate → ethyl 2-[2-(tert-butoxycarbonylamino)ethyl-[3-[[4-(4,5-difluoro-2-methylsulfanyl-phenyl)phenoxy]methyl]benzoyl]amino]acetate (72648-80-7)

Guidance literature:

With hydrogen; 10percent Pd/C; In dichloromethane; for 4h; under 2585.81 Torr;

DOI:10.1021/jo026590w

Reference yield: 96.0%

N-BOC-1,2-diaminoethane (57260-73-8) + ethyl bromoacetate (105-36-2) → ethyl 2-[2-(tert-butoxycarbonylamino)ethyl-[3-[[4-(4,5-difluoro-2-methylsulfanyl-phenyl)phenoxy]methyl]benzoyl]amino]acetate (72648-80-7)

Guidance literature:

With potassium carbonate; In chloroform; acetonitrile;

DOI:10.1021/jo001650o

Reference yield:

N-BOC-1,2-diaminoethane (57260-73-8) + ethyl glyoxylate hydrate (64805-08-9) → ethyl 2-[2-(tert-butoxycarbonylamino)ethyl-[3-[[4-(4,5-difluoro-2-methylsulfanyl-phenyl)phenoxy]methyl]benzoyl]amino]acetate (72648-80-7)

Guidance literature:

N-BOC-1,2-diaminoethane; ethyl glyoxylate hydrate; In dichloromethane; at 0 ℃; for 1h; Inert atmosphere; Molecular sieve;

With palladium 10% on activated carbon; hydrogen; In dichloromethane; for 4h; under 2585.81 Torr; Inert atmosphere; Molecular sieve;

DOI:10.1016/j.tetlet.2012.10.032

upstream raw materials:

N-BOC-1,2-diaminoethane

ethyl bromoacetate

di-tert-butyl dicarbonate

ethyl glyoxylate hydrate

Downstream raw materials:

{N-[2-(tert-Butoxycarbonylamino)ethyl]-N-[2-(2,4-difluoro-5-methylphenyl)acetyl]amino}acetic acid ethyl ester

N-(2-tert-butoxycarbonylaminoethyl)aminoacetic acid

[{[8-(2-benzyloxycarbonylamino-ethoxy)-2-oxo-2,9-dihydro-10-oxa-1,3,9-triaza-anthracen-3-yl]-acetyl}-(2-tert-butoxycarbonylamino-ethyl)-amino]-acetic acid ethyl ester

[{[8-(3-benzyloxycarbonylamino-propoxy)-2-oxo-2,9-dihydro-10-oxa-1,3,9-triaza-anthracen-3-yl]-acetyl}-(2-tert-butoxycarbonylamino-ethyl)-amino]-acetic acid ethyl ester