(Isopropylamino)(oxo)acetic acid

Base Information

• Chemical Name: (Isopropylamino)(oxo)acetic acid
• CAS No.: 29262-57-5
• Molecular Formula: C5H9 N O3
• Molecular Weight: 131.131
• Hs Code.: 2924199090
• European Community (EC) Number: 842-406-8
• DSSTox Substance ID: DTXSID20428368
• Nikkaji Number: J594.644A
• Wikidata: Q27454298
• ChEMBL ID: CHEMBL4764445
• Mol file: 29262-57-5.mol

Synonyms:29262-57-5;(isopropylamino)(oxo)acetic acid;2-(Isopropylamino)-2-oxoacetic acid;oxo(propan-2-ylamino)acetic acid;2-oxo-2-(propan-2-ylamino)acetic acid;[(propan-2-yl)carbamoyl]formic acid;MFCD06740186;Acetic acid, 2-[(1-methylethyl)amino]-2-oxo-;40E;N-Isopropyloxamidic acid;N-Isopropyl-oxalamic acid;SCHEMBL584224;CHEMBL4764445;DTXSID20428368;KBMFHCMLHQGQEB-UHFFFAOYSA-N;AMY10255;AC5819;BBL000516;STK499896;AKOS005172207;AS-66130;SY026403;CS-0154192;FT-0679580;EN300-1262640;Q27454298

Chemical Property of (Isopropylamino)(oxo)acetic acid

Chemical Property:

• Melting Point: 107 °C
• Refractive Index: 1.454
• PKA: 2.37±0.20(Predicted)
• PSA: 66.40000
• Density: 1.17g/cm³
• LogP: -0.01350
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.058243149
• Heavy Atom Count: 9
• Complexity: 130

Purity/Quality:

98%min ^*data from raw suppliers

(isopropylamino)(oxo)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC(=O)C(=O)O

Technology Process of (Isopropylamino)(oxo)acetic acid

There total 6 articles about (Isopropylamino)(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: 76.0%

Ethyl oxalyl chloride (4755-77-5) + isopropylamine (75-31-0) → N-isopropyloxamic acid (29262-57-5)

Guidance literature:

With pyridine; In dichloromethane; at 4 ℃; for 2h;

DOI:10.1021/jo00088a026

Reference yield:

ethyl 2-(isopropylamino)-2-oxoacetate (160418-11-1) → N-isopropyloxamic acid (29262-57-5)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1016/0584-8539(96)01689-3

Reference yield:

N-Isopropyl-oxalamic acid methyl ester (343927-96-8) → N-isopropyloxamic acid (29262-57-5)

Guidance literature:

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

DOI:10.1021/jo00122a020

upstream raw materials:

[(Diethoxy-phosphoryl)-isopropyl-amino]-oxo-acetic acid

2-ethoxy-3-isopropyl-2-oxo-2λ⁵-[1,3,2]oxazaphospholidine-4,5-dione

Ethyl oxalyl chloride

isopropylamine

Downstream raw materials:

C₁₈H₁₄BrClF₃N₃O₃

C₃₇H₆₂N₆O₇

Isopropyl isocyanate

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.
• 2、 Wolfs, Ilse,Desseyn, Herman O.. "Hydrogen bond patterns in solid state carboxylic acids. Vibrational behaviour of the catamer pattern as exhibited by the N-alkyloxamic acids". . p. 1521 - 1528. Retrieved 2007/10/03.