Benzyl 2-(tert-butylamino)acetate

Base Information

• Chemical Name: Benzyl 2-(tert-butylamino)acetate
• CAS No.: 343319-03-9
• Molecular Formula: C₁₃H₁₉NO₂
• Molecular Weight: 221.299
• DSSTox Substance ID: DTXSID90380525
• Nikkaji Number: J3.177.250H
• Wikidata: Q82170783
• Mol file: 343319-03-9.mol

Synonyms:Benzyl 2-(tert-butylamino)acetate;343319-03-9;2-Naphthylacrylicacid;SCHEMBL394596;N-tert-Butylglycine benzyl ester;DTXSID90380525;MFCD00239221;AKOS027382152;SB80161;E75761

Chemical Property of Benzyl 2-(tert-butylamino)acetate

Chemical Property:

• Vapor Pressure: 0.00103mmHg at 25°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

BENZYL 2-(TERT-BUTYLAMINO)ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)NCC(=O)OCC1=CC=CC=C1

Technology Process of Benzyl 2-(tert-butylamino)acetate

There total 1 articles about Benzyl 2-(tert-butylamino)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: 85.0%

tert-butylamine (75-64-9) + Benzyl bromoacetate (5437-45-6) → tert-butylamino-acetic acid benzyl ester (343319-03-9)

Guidance literature:

With triethylamine; In ethyl acetate; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.202101155

Reference yield:

tert-butylamino-acetic acid benzyl ester (343319-03-9) + carbonochloridic acid, chloromethyl ester (22128-62-7) → (tert-butyl-chloromethoxycarbonyl-amino)-acidic acid benzyl ester (928043-25-8)

Guidance literature:

With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; In dichloromethane; at 20 ℃; for 24h;

Reference yield:

bromoacetic anhydride (13094-51-4) + tert-butylamino-acetic acid benzyl ester (343319-03-9) → C15H20BrNO3

Guidance literature:

With triethylamine; In ethyl acetate; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol400820y

upstream raw materials:

tert-butylamine

Benzyl bromoacetate

Downstream raw materials:

(tert-butyl-chloromethoxycarbonyl-amino)-acidic acid benzyl ester

C₂₁H₃₂N₂O₄

C₂₇H₄₃N₃O₅

C₃₃H₅₄N₄O₆

Refernces

• 1、 Roy,Caumes,Esvan,Didierjean,Faure,Taillefumier. "The tert-butyl side chain: A powerful means to lock peptoid amide bonds in the cis conformation". supporting information. p. 2246 - 2249. Retrieved 2013/06/05.