Isovaleryl diethylamide

Base Information

• Chemical Name: Isovaleryl diethylamide
• CAS No.: 533-32-4
• Molecular Formula: C9H19 N O
• Molecular Weight: 157.256
• Hs Code.: 2924199090
• European Community (EC) Number: 208-562-0
• NSC Number: 32522
• UNII: A9RAN1A34P
• DSSTox Substance ID: DTXSID50201444
• Nikkaji Number: J6.327D
• Wikidata: Q27273817
• Mol file: 533-32-4.mol

Synonyms:Isovaleryl diethylamide;Xalyl;N,N-Diethylisovaleramide;N,N-diethyl-3-methylbutanamide;Valyl;533-32-4;Valimyl;UNII-A9RAN1A34P;A9RAN1A34P;Butanamide, N,N-diethyl-3-methyl-;EINECS 208-562-0;NSC-32522;AI3-31410;SCHEMBL77705;Butanamide,N-diethyl-3-methyl-;Butyramide,N-diethyl-3-methyl-;DTXSID50201444;CHEBI:134787;NSC32522;ISOVALERYL DIETHYLAMIDE [MI];NSC 32522;AKOS002951434;N,N-DIETHYL-3-METHYLBUTYRAMIDE;Q27273817

Chemical Property of Isovaleryl diethylamide

Chemical Property:

• Vapor Pressure: 0.162mmHg at 25°C
• Refractive Index: nD20 1.4422
• Boiling Point: 213.7°Cat760mmHg
• PKA: -0.41±0.70(Predicted)
• Flash Point: 78.7°C
• PSA: 20.31000
• Density: 0.864g/cm³
• LogP: 1.90090
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 157.146664230
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

98%min ^*data from raw suppliers

ISOVALERYL DIETHYLAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Isovaleryl diethylamide

There total 7 articles about Isovaleryl diethylamide 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: 88.0%

C10H16N2O3 + diethylamine (109-89-7) → N,N-diethyl-3-methylbutanamide (533-32-4)

Guidance literature:

In ethyl acetate; at 50 ℃; for 1h; Sealed tube;

DOI:10.1002/ejoc.201800378

Reference yield:

N,N-dimethylamino-3,3-diethylacrylamide (5411-63-2) → N,N-diethyl-3-methylbutanamide (533-32-4) + 2-isopropyl-3,3-dimethyl-glutaric acid bis-diethylamide

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01636a047

Reference yield:

i-Amyl alcohol (123-51-3) → N,N-diethyl-3-methylbutanamide (533-32-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate; iron(III) chloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / acetonitrile; water / 1.5 h / 35 °C / Sealed tube; Inert atmosphere

2: ethyl acetate / 1 h / 50 °C / Sealed tube

With iron(III) chloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; In water; ethyl acetate; acetonitrile;

DOI:10.1002/ejoc.201800378

upstream raw materials:

diethyl ether

Ethyl isovalerate

lithium diethylamide

N,N-dimethylamino-3,3-diethylacrylamide

Downstream raw materials:

N,N-Diethyl-2-(hydroxy-diphenyl-methyl)-3-methyl-butyramide

1-ethoxy-4-methyl-pentan-2-one

Refernces