3-Hydroxy-3-methyl-2-butanone oxime

Base Information

• Chemical Name: 3-Hydroxy-3-methyl-2-butanone oxime
• CAS No.: 7431-25-6
• Molecular Formula: C5H11NO2
• Molecular Weight: 117.148
• Hs Code.: 2928000090
• NSC Number: 409554
• Mol file: 7431-25-6.mol

Synonyms:3-Hydroxy-3-methyl-2-butanone oxime;7431-25-6;(3E)-3-hydroxyimino-2-methylbutan-2-ol;3-HYDROXY-3-METHYL-2-BUTANONEOXIME;NSC409554;SCHEMBL11222104;MFCD00059656;AKOS006230616;NSC-409554

Chemical Property of 3-Hydroxy-3-methyl-2-butanone oxime

Chemical Property:

• Vapor Pressure: 0.0248mmHg at 25°C
• Melting Point: 84-86oC
• Boiling Point: 219.6°Cat760mmHg
• Flash Point: 118.6°C
• PSA: 52.82000
• Density: 1.02g/cm³
• LogP: 0.60740
• Solubility.: soluble in Ether,Acetone
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

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

3-Hydroxy-3-methyl-2-butanone Oxime ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C(C)(C)O
• Isomeric SMILES: C/C(=N\O)/C(C)(C)O

Technology Process of 3-Hydroxy-3-methyl-2-butanone oxime

There total 14 articles about 3-Hydroxy-3-methyl-2-butanone oxime 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: 89.0%

2-methyl-but-3-yn-2-ol (115-19-5) → 3-hydroxy-3-methyl-butan-2-one oxime (7431-25-6)

Guidance literature:

With hydroxylamine; In water; isopropyl alcohol; at 140 ℃;

DOI:10.15227/orgsyn.090.0087

Reference yield: 75.0%

2-methyl-but-3-yn-2-ol (115-19-5) → 3-hydroxy-3-methyl-butan-2-one oxime (7431-25-6) + C5H11NO2

Guidance literature:

With hydroxylamine; In water; isopropyl alcohol; at 140 ℃; regioselective reaction; Inert atmosphere; Microwave irradiation;

DOI:10.1021/ja806300r

Reference yield: 60.0%

3-bromo-3,4,4-trimethyl-3,4-dihydrodiazete 1.2-dioxide (52533-27-4) → 3-hydroxy-3-methyl-butan-2-one oxime (7431-25-6) + 3-hydroxyamino-3-methyl-butan-2-one oxime (38870-64-3)

Guidance literature:

With potassium phosphate buffer; rac-cysteine; at 30 ℃; Rate constant; Mechanism; var. thiols, var. thiol conc. and pH;

DOI:10.1021/jm960737s

upstream raw materials:

tert-Amyl alcohol

3-Hydroxy-3-methyl-2-butanone

3-hydroxyamino-3-methyl-butan-2-one oxime

methyl magnesium iodide

Downstream raw materials:

3-Hydroxy-3-methyl-2-butanone

3-amino-2-methylbutan-2-ol