BOC-N-ethylglycine

Base Information

• Chemical Name: BOC-N-ethylglycine
• CAS No.: 149794-10-5
• Molecular Formula: C9H17NO4
• Molecular Weight: 203.238
• Hs Code.: 2924299090
• European Community (EC) Number: 681-435-9
• DSSTox Substance ID: DTXSID60514496
• Wikidata: Q82374858
• Mol file: 149794-10-5.mol

Synonyms:BOC-N-ethylglycine;149794-10-5;N-Boc-N-Ethyl-glycine;BOC-N-ETHYL GLYCINE;N-(tert-butoxycarbonyl)-N-ethylglycine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;N-Ethylglycine, N-BOC protected;MFCD00672508;2-(tert-Butoxycarbonyl(ethyl)amino)acetic acid;n-boc-n-ethylglycine;Ethyl N-BOC-glycine;F2167-0162;SCHEMBL1253034;Boc-N-ethyl glycine, AldrichCPR;DTXSID60514496;SPBIXXXFDSLALC-UHFFFAOYSA-N;AKOS008144161;HY-W050782;AS-18120;SY180269;CS-0043102;FT-0693654;EN300-57264;VU0494852-1;N-[(1,1-dimethylethoxy)carbonyl]-N-ethylglycine;A884232;2-{[(tert-butoxy)carbonyl](ethyl)amino}acetic acid

Chemical Property of BOC-N-ethylglycine

Chemical Property:

• Melting Point: 87-88℃
• Boiling Point: 302.729 °C at 760 mmHg
• PKA: 4.03±0.10(Predicted)
• Flash Point: 136.886 °C
• PSA: 66.84000
• Density: 1.114 g/cm³
• LogP: 1.32800
• Storage Temp.: Store at 0°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 203.11575802
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

98.5% ^*data from raw suppliers

N-Boc-N-ethyl-glycine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC(=O)O)C(=O)OC(C)(C)C
• Uses: N-Boc-N-ethyl Glycine, is a substituted Glycine (G615990) used as a building block for the synthesis of more complex pharmaceutical compounds. It can be used for designing potent, selective, orally active, peptide-based fibrinogen receptor antagonists.

Technology Process of BOC-N-ethylglycine

There total 12 articles about BOC-N-ethylglycine 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%

BOC-glycine (4530-20-5) + ethyl iodide (75-03-6) → N-(tert-buytoxycarbonyl)-N-ethylglycine (149794-10-5)

Guidance literature:

BOC-glycine; ethyl iodide; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 1h;

In tetrahydrofuran; at 0 ℃;

Reference yield: 100.0%

N-ethylglycine (627-01-0) + di-tert-butyl dicarbonate (24424-99-5) → N-(tert-buytoxycarbonyl)-N-ethylglycine (149794-10-5)

Guidance literature:

With sodium carbonate; In 1,2-dimethoxyethane; water; for 4h;

Reference yield: 76.0%

→ (S)-tert-butyl 1-(4-(4-fluoronaphthalen-1-yl)thiazol-2-yl)-2-(4-methoxybenzylthio)-2-methylpropylcarbamate + N-(tert-buytoxycarbonyl)-N-ethylglycine (149794-10-5)

Guidance literature:

upstream raw materials:

BOC-glycine

ethyl iodide

N-ethylglycine

di-tert-butyl dicarbonate

Downstream raw materials:

[(5-chloro-2-methylphenylcarbamoyl)methyl]ethylcarbamic acid tert-butyl ester

[(5-chloro-2-methylphenylthiocarbamoyl)methyl]ethylcarbamic acid tert-butyl ester

(S)-3-[2-(tert-Butoxycarbonyl-ethyl-amino)-acetylamino]-N-((S)-1-carbamoyl-2-cyclohexyl-ethyl)-succinamic acid benzyl ester

Refernces

• 1、 Dado, Gregory P.,Gellman, Samuel H.. "Structural and thermodynamic characterization of temperature-dependent changes in the folding pattern of a synthetic triamide". . p. 4228 - 4245. Retrieved 1993.
• 2、 -. "IMIDAZOQUINOLINE-TYPE COMPOUNDS AND USES THEREOF". Paragraph 0013; 00106; 00118. . Retrieved 2021/10/11.