Butylamine

Base Information

• Chemical Name: Butylamine
• CAS No.: 109-73-9
• Deprecated CAS: 42939-72-0,50929-03-8,85404-21-3,50929-03-8
• Molecular Formula: C4H11N
• Molecular Weight: 73.138
• Hs Code.: 2921.19 Oral rat LD50: 366 mg/kg
• European Community (EC) Number: 203-699-2
• ICSC Number: 0374
• NSC Number: 8029
• UN Number: 1125
• UNII: N2QV60B4WR
• DSSTox Substance ID: DTXSID1021904
• Nikkaji Number: J2.436H
• Wikipedia: N-Butylamine
• Wikidata: Q421035
• Metabolomics Workbench ID: 44817
• ChEMBL ID: CHEMBL13968
• Mol file: 109-73-9.mol

Synonyms:1-butylamine;n-butylamine;n-butylamine hydrobromide;n-butylamine hydrochloride;n-butylamine hydrochloride, 14C-labeled cpd

Chemical Property of Butylamine

Chemical Property:

• Appearance/Colour: colourless to yellow liquid
• Vapor Pressure: 68 mm Hg ( 20 °C)
• Melting Point: -49 °C(lit.)
• Refractive Index: 1.3936
• Boiling Point: 77.3 °C at 760 mmHg
• PKA: 10.77(at 20℃)
• Flash Point: 30°F
• PSA: 26.02000
• Density: 0.744 g/cm³
• LogP: 1.44550
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: water: miscible
• Water Solubility.: MISCIBLE
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 73.089149355
• Heavy Atom Count: 5
• Complexity: 13.1
• Transport DOT Label: Flammable Liquid Corrosive

Purity/Quality:

99% ^*data from raw suppliers

1-Butylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-20/21/22-35
• Safety Statements: 3-16-26-29-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CCCCN
• 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 and the vapour are corrosive to the eyes, skin and respiratory tract. Inhalation of the vapour may cause lung oedema. The effects may be delayed. Medical observation is indicated.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis.
• Description: n-Butylamine is one of the four isomeric amines of butane, the others being sec-butylamine, tert-butylamine, and isobutylamine. It is a colourless to yellow liquid and is highly flammable. It is stable and incompatible with oxidising agents, aluminium, copper, copper alloys, and acids. n-Butylamine finds its uses in the manufacture of pesticides (such as thiocarbazides), pharmaceuticals, and emulsifiers. It is also a precursor for the manufacture of N,N′-dibutylthiourea, a rubber vulcanisation accelerator, and n-butylbenzenesulphonamide, a plasticiser of nylon.
• Physical properties: Butylamine has an ammoniacal odor (fishy, pungent). Clear, colorless liquid with a strong or pungent, ammonia-like odor. Slowly becomes pale yellow on prolonged storage. Experimentally determined detection and recognition odor threshold concentrations were 240 μg/m3 (80 ppbv) and 720 μmg/m3 (240 ppbv), respectively (Hellman and Small, 1974).
• Uses: n-Butylamine is used as an intermediatefor various products, including dyestuffs,pharmaceuticals, rubber chemical, synthetictanning agents, and emulsifying agents. It isused for making isocyanates for coatings. Intermediate for pharmaceuticals, dyestuffs, rubber chemicals, emulsifying agents, insecticides, synthetic tanning agents.

Technology Process of Butylamine

There total 354 articles about Butylamine 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: 87.0%

N-Benzyl-N-butylamine (2403-22-7) → benzaldehyde (100-52-7) + N-butylamine (109-73-9,85404-21-3)

Guidance literature:

With dipotassium peroxodisulfate; tris(2,2'-bipyridyl)ruthenium dichloride; In water; acetonitrile; at 20 ℃; for 12h; Irradiation;

Reference yield: 30.5%

propyl cyanide (109-74-0) + ethanol (64-17-5) → N-ethylbutylamine (13360-63-9) + (butylidene)butylamine (4853-56-9) + N-butylamine (109-73-9,85404-21-3)

Guidance literature:

With Co(9.8%)/SiO2 catalyst; hydrogen; at 129.84 ℃; under 9750.98 Torr; Reagent/catalyst; Temperature;

DOI:10.1016/j.jcat.2019.10.011

Reference yield:

N,N-dichloro-n-butylamine (14925-83-8) + diethylzinc (557-20-0) → N-ethylbutylamine (13360-63-9) + N-butylamine (109-73-9,85404-21-3)

Guidance literature:

With Petroleum ether;

DOI:10.1021/ja01321a046

upstream raw materials:

O-Methylhydroxylamin

n-butyl magnesium bromide

1-bromo-butane

tetrachloromethane

Downstream raw materials:

1-butylpyrrolidine

N-butylformamide

ethanol

N-butyl-2-pyridylamine

Refernces

• 1、 Segobia,Trasarti,Apesteguía. "Impact of solvent on Co/SiO2 activity and selectivity for the synthesis of n-butylamine from butyronitrile hydrogenation". . p. 62 - 66. Retrieved 2015.
• 2、 Zou, Hanxun,Hai, Yu,Ye, Hebo,You, Lei. "Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials". . p. 16344 - 16353. Retrieved 2019.
• 3、 Gourbeyre, Léa,Heuson, Egon,Charmantray, Franck,Hélaine, Virgil,Debard, Adrien,Petit, Jean-Louis,de Berardinis, Véronique,Gefflaut, Thierry. "Biocatalysed synthesis of chiral amines: continuous colorimetric assays for mining amine-transaminases". . p. 904 - 911. Retrieved 2021.
• 4、 Guo, Shuqiong,Scott, Ronald M.. "SOLVATION OF PRIMARY AMINES: SHORT-RANGE SOLVATION OF PROTON TRANSFER COMPLEXES OF 2,4-DINITROPHENOL, AND n-BUTYLAMINE". . p. 307 - 313. Retrieved 1990.
• 5、 Witte, Peter T.. "A new supported rhodium catalyst for selective hydrogenation of nitriles to primary amines". . p. 468 - 474. Retrieved 2007.
• 6、 Wawzonek,Nordstrom. "-". . p. 3726. Retrieved 1962.
• 7、 Mutti, Francesco G.,Knaus, Tanja,Scrutton, Nigel S.,Breuer, Michael,Turner, Nicholas J.. "Conversion of alcohols to enantiopure amines through dual-enzyme hydrogen-borrowing cascades". . p. 1525 - 1529. Retrieved 2015.
• 8、 Ettlinger,Lundeen. "". . . Retrieved 1957.
• 9、 Coleman,Andersen,Hermanson. "-". . p. 1381. Retrieved 1934.
• 10、 -. "Method for preparing amine through catalytic reduction of nitro compound by cyclic (alkyl) (amino) carbene chromium complex". Paragraph 0015. . Retrieved 2021/04/17.