2-(Isopropylideneaminooxy)propionic acid

Base Information

• Chemical Name: 2-(Isopropylideneaminooxy)propionic acid
• CAS No.: 5001-36-5
• Molecular Formula: C₆H₁₁NO₃
• Molecular Weight: 145.158
• NSC Number: 171263,135897,135893,54803
• DSSTox Substance ID: DTXSID201236264
• Mol file: 5001-36-5.mol

Synonyms:2-(Isopropylideneaminooxy)propionic acid;5001-36-5;2-(propan-2-ylideneamino)oxypropanoic acid;2-Isopropylideneaminooxypropionic acid;2009-90-7;.alpha.-Isopropylideneaminooxypropionic acid;2-[[(1-Methylethylidene)amino]oxy]propanoic acid;2-{[(1-methylethylidene)amino]oxy}propanoic acid;SCHEMBL731801;DTXSID201236264;NSC54803;MFCD00040908;NSC-54803;NSC135893;NSC135897;NSC171263;AKOS006220777;NSC-135893;NSC-135897;NSC-171263;2-(isopropylideneamino)oxypropanoic acid;2-(isopropylideneamino)oxypropionic acid;2-(Isopropylideneaminooxy)propanoic acid;2-(propan-2-ylideneaminooxy)propanoic acid;d,l-a-(Isopropylideneaminooxy)propionic acid;FT-0608827;A827932;(+/-)-alpha-(isopropylideneaminooxy)propionic acid;2-([(1-Methylethylidene)amino]oxy)propanoic acid #

Chemical Property of 2-(Isopropylideneaminooxy)propionic acid

Chemical Property:

• Vapor Pressure: 0.0169mmHg at 25°C
• Melting Point: 53-57°C
• Boiling Point: 235.8°C at 760 mmHg
• PKA: 3.26±0.10(Predicted)
• Flash Point: 96.4°C
• PSA: 58.89000
• Density: 1.09g/cm³
• LogP: 0.87190
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

2-(ISOPROPYLIDENEAMINOOXY)PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Isopropylideneaminooxy)propionic acid

There total 9 articles about 2-(Isopropylideneaminooxy)propionic 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: 37.0%

2-{[(1-methylethylidene)amino]oxy}-propanoic acid, ethyl ester (54716-29-9) → α-(isopropylidenaminooxy)-propionic acid (2009-88-3,2009-89-4,2009-90-7,5001-36-5)

Guidance literature:

2-{[(1-methylethylidene)amino]oxy}-propanoic acid, ethyl ester; With sodium hydroxide; water; at 70 ℃; for 0.333333h;

With hydrogenchloride; In water; at 20 ℃; pH=2;

Reference yield:

2-Bromopropionic acid (598-72-1,10327-08-9) + acetone oxime (127-06-0) → α-(isopropylidenaminooxy)-propionic acid (2009-88-3,2009-89-4,2009-90-7,5001-36-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01592a034

Reference yield:

2-{[(1-methylethylidene)amino]oxy}-propanoic acid, ethyl ester (54716-29-9) → (+)-α-(Isopropylidenamino-oxy)-propionsaeure (2009-88-3,2009-89-4,2009-90-7,5001-36-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

With sodium hydroxide;

DOI:10.1021/jo01015a545

upstream raw materials:

2-Bromopropionic acid

acetone oxime

2-{[(1-methylethylidene)amino]oxy}-propanoic acid, ethyl ester

(R,S)-2-chloropropionic acid

Downstream raw materials:

2-fluoren-9-ylidenaminooxy-propionic acid

propan-2-one O-(2-hydroxy-1-methyl-ethyl)-oxime

(+)-α-(Isopropylidenamino-oxy)-propionsaeure

(-)-α-(Isopropylidenamino-oxy)-propionsaeure

Refernces

• 1、 -. "Camptothecin derivatives as chemoradiosensitizing agents". Page/Page column 34. . Retrieved 2008/06/13.