Isobutylamine

Base Information

• Chemical Name: Isobutylamine
• CAS No.: 78-81-9
• Molecular Formula: C4H11N
• Molecular Weight: 73.138
• European Community (EC) Number: 201-145-4
• ICSC Number: 1253
• NSC Number: 8028
• UN Number: 1214
• UNII: 1H60H4LOHZ
• DSSTox Substance ID: DTXSID9025459
• Nikkaji Number: J46.573I
• Wikipedia: Isobutylamine
• Wikidata: Q416655
• Metabolomics Workbench ID: 46416
• Mol file: 78-81-9.mol

Synonyms:isobutylamine;isobutylamine hydrochloride

Chemical Property of Isobutylamine

Chemical Property:

• Appearance/Colour: Clear colorless to slightly yellow liquid
• Melting Point: -85 °C(lit.)
• Refractive Index: n20/D 1.397(lit.)
• Boiling Point: 67.7 °C at 760 mmHg
• Flash Point: 15°F
• PSA: 26.02000
• Density: 0.741 g/cm³
• LogP: 1.30140
• Water Solubility.: soluble
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 73.089149355
• Heavy Atom Count: 5
• Complexity: 17.6
• Transport DOT Label: Flammable Liquid Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F:Flammable;;
• Statements: R11:; R22:; R35:
• Safety Statements: S26:; S36/37/39:; S45:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CC(C)CN
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation may cause lung oedema. The effects may be delayed. Medical observation is indicated.

Technology Process of Isobutylamine

There total 112 articles about Isobutylamine 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: 97.0%

Isobutyronitrile (78-82-0) → isobutylamine (78-81-9)

Guidance literature:

With borane-ammonia complex; In methanol; water; at 20 ℃; for 0.0833333h;

DOI:10.1021/cs500167k

Reference yield: 95.0%

2-methylallylamin (2878-14-0) → isobutylamine (78-81-9)

Guidance literature:

With hydrogen; Rhodium chloride tri(triphenylphosphine-meta-trisulfonate); In water; for 15h; Ambient temperature;

DOI:10.1016/S0040-4039(00)95453-4

Reference yield: 92.0%

isobutyraldehyde (78-84-2) → isobutylamine (78-81-9)

Guidance literature:

With ammonium hydroxide; hydrogen; In ethanol; at 130 ℃; for 16h; under 7500.75 Torr; Autoclave;

DOI:10.1016/j.jcat.2019.01.004

upstream raw materials:

O-Methylhydroxylamin

isobutylmagnesium bromide

diisobutylamine

2-methylpropenal

Downstream raw materials:

1-isobutylamino-3-o-tolyloxy-propan-2-ol

N-Isobutyl-1,2-benzoisothiazol-3-thion

2-methyl-propan-1-ol

tert-butyl alcohol

Refernces

• 1、 Fossey-Jouenne, Aurélie,Jongkind, Ewald P. J.,Mayol, Ombeline,Paul, Caroline E.,Vergne-Vaxelaire, Carine,Zaparucha, Anne. "Synthesis of Chiral Amines via a Bi-Enzymatic Cascade Using an Ene-Reductase and Amine Dehydrogenase". . . Retrieved 2021/12/23.
• 2、 -. "Half-sandwiched ruthenium complex containing carborane schiff base ligand and preparation and application thereof". Paragraph 0067-0071. . Retrieved 2020/12/09.