Acetic acid, [[(1-methylethylidene)amino]oxy]-

Base Information

• Chemical Name: Acetic acid, [[(1-methylethylidene)amino]oxy]-
• CAS No.: 5382-89-8
• Molecular Formula: C5H9NO3
• Molecular Weight: 131.131
• Hs Code.: 29252900
• European Community (EC) Number: 226-377-3
• DSSTox Substance ID: DTXSID5063819
• Nikkaji Number: J217.936I
• ChEMBL ID: CHEMBL3274418
• Mol file: 5382-89-8.mol

Synonyms:5382-89-8;ACETONE CARBOXYMETHOXIME;2-(propan-2-ylideneamino)oxyacetic acid;Acetic acid, [[(1-methylethylidene)amino]oxy]-;(((1-Methylethylidene)amino)oxy)acetic acid;EINECS 226-377-3;Acetic acid, (((1-methylethylidene)amino)oxy)-;Acetic acid, 2-(((1-methylethylidene)amino)oxy)-;{[(1-methylethylidene)amino]oxy}acetic acid;[[(1-METHYLETHYLIDENE)AMINO]OXY]ACETIC ACID;isopropylideneaminooxyacetic acid;SCHEMBL1122417;CHEMBL3274418;DTXSID5063819;2-(isopropylideneamino)oxy-acetic acid;AKOS009209031;[(2-Propanylideneamino)oxy]acetic acid;AB13789;[(Propan-2-ylideneamino)oxy]acetic acid;FT-0652372;2-[[(1-Methylethylidene)amino]oxy]acetic acid;A829785

Chemical Property of Acetic acid, [[(1-methylethylidene)amino]oxy]-

Chemical Property:

• Appearance/Colour: off-white crystalline solid
• Vapor Pressure: 0.0265mmHg at 25°C
• Melting Point: 76-76.5 °C
• Refractive Index: 1.449
• Boiling Point: 228.3 °C at 760 mmHg
• PKA: 3.21±0.10(Predicted)
• Flash Point: 91.9 °C
• PSA: 58.89000
• Density: 1.12 g/cm³
• LogP: 0.48340
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 131.058243149
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

98%,99%, ^*data from raw suppliers

ACETONE CARBOXYMETHOXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NOCC(=O)O)C

Technology Process of Acetic acid, [[(1-methylethylidene)amino]oxy]-

There total 8 articles about Acetic acid, [[(1-methylethylidene)amino]oxy]- 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: 79.0%

chloroacetic acid (79-11-8) + acetone oxime (127-06-0) → [(propan-2-ylideneamino)oxy]acetic acid (5382-89-8)

Guidance literature:

With potassium iodide; potassium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 1h;

DOI:10.1002/open.201800098

Reference yield: 68.0%

bromoacetic acid (79-08-3) + acetone oxime (127-06-0) → [(propan-2-ylideneamino)oxy]acetic acid (5382-89-8)

Guidance literature:

With sodium hydroxide; octadecyltrimethylammonium bromide; for 0.0333333h; Irradiation;

DOI:10.1007/BF02517985

Reference yield: 36.0%

2-(2-hydroxyimino-1,1-dimethyl-2-phenylethyl)-1,2-oxazetidin-3-one (89587-35-9) → [(propan-2-ylideneamino)oxy]acetic acid (5382-89-8) + benzonitrile (100-47-0)

Guidance literature:

Prolonged storage;

DOI:10.1007/BF00505860

upstream raw materials:

chloroacetic acid

acetone oxime

acetone

aminooxyacetic acid

Downstream raw materials:

4-Isopropylidenaminooxyacetylamino-2-hydroxy-benzoesaeure

N-phenyl-2-((propan-2-ylideneamino)oxy)acetamide

2-Isopropylidenaminooxy-1,1-diphenyl-ethanol

O-(carboxymethyl)hydroxylamine dihydrochloride

Refernces

• 1、 -. "HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES". Paragraph 0858. . Retrieved 2015/02/18.
• 2、 Zeng, Zhen,Jiang, Hong,Zhang, Haoyong,Jiang, Zhenhua. "The synthesis of novel oxime ethers and their effects on the senescence of cut carnation flowers". scheme or table. p. 463 - 470. Retrieved 2012/05/20.