(Tert-butylamino)(oxo)acetic acid

Base Information

• Chemical Name: (Tert-butylamino)(oxo)acetic acid
• CAS No.: 169772-25-2
• Molecular Formula: C₆H₁₁NO₃
• Molecular Weight: 145.158
• European Community (EC) Number: 960-793-2
• DSSTox Substance ID: DTXSID10409287
• Nikkaji Number: J683.459K
• Wikidata: Q82215051
• Mol file: 169772-25-2.mol

Synonyms:(tert-butylamino)(oxo)acetic acid;169772-25-2;2-(tert-butylamino)-2-oxoacetic acid;Acetic acid, [(1,1-dimethylethyl)amino]oxo-;(tert-butylcarbamoyl)formic acid;N-tert-butyloxalamic acid;N-tert-Butyl-oxalamic acid;SCHEMBL669001;DTXSID10409287;BPCATNGVUSFCNY-UHFFFAOYSA-N;MFCD02625536;AKOS003230250;LS-03098;CS-0314242;FT-0679572;(tert-Butylamino)(oxo)acetic acid, AldrichCPR;E84325

Chemical Property of (Tert-butylamino)(oxo)acetic acid

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

(tert-Butylamino)(oxo)acetic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)C(=O)O

Technology Process of (Tert-butylamino)(oxo)acetic acid

There total 3 articles about (Tert-butylamino)(oxo)acetic acid 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:

N-tert-Butyl-oxalamic acid methyl ester → 2-(tert-butylamino)-2-oxoacetic acid (169772-25-2)

Guidance literature:

With potassium hydroxide; In methanol; at 15 ℃; Yield given;

DOI:10.1021/jo00122a020

Reference yield:

N-tert-butyloxanillic acid ethyl ester (87034-69-3) → 2-(tert-butylamino)-2-oxoacetic acid (169772-25-2)

Guidance literature:

With water; sodium hydroxide; In toluene; at 40 - 45 ℃;

DOI:10.1021/jf801311h

Reference yield:

Ethyl oxalyl chloride (4755-77-5) + tert-butylamine (75-64-9) → 2-(tert-butylamino)-2-oxoacetic acid (169772-25-2)

Guidance literature:

Ethyl oxalyl chloride; tert-butylamine; With triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/ejoc.202100461

upstream raw materials:

N-tert-butyloxanillic acid ethyl ester

Ethyl oxalyl chloride

tert-butylamine

Downstream raw materials:

C₁₉H₁₆BrClF₃N₃O₃

N-t-butylbenzamide

N,N'-di-tert-butyloxamide

Refernces

• 1、 Zhao, Yu,Mao, Chunhui,Li, Yongqiang,Zhang, Pengxiang,Huang, Zhiqiang,Bi, Fuchun,Huang, Runqiu,Wang, Qingmin. "Synthesis, crystal structure, and insecticidal activity of novel N-alkyloxyoxalyl derivatives of 2-arylpyrrole". experimental part. p. 7326 - 7332. Retrieved 2010/06/11.