Butylamine hydrochloride

Base Information

• Chemical Name: Butylamine hydrochloride
• CAS No.: 3858-78-4
• Molecular Formula: C4H11 N . Cl H
• Molecular Weight: 109.599
• Hs Code.: 2921199990
• European Community (EC) Number: 223-369-1
• DSSTox Substance ID: DTXSID10884015
• Wikidata: Q27285017
• Mol file: 3858-78-4.mol

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

Chemical Property of Butylamine hydrochloride

Chemical Property:

• Melting Point: 214°C
• Refractive Index: 1.5320 (estimate)
• Boiling Point: 77.3°Cat760mmHg
• Flash Point: °C
• PSA: 26.02000
• Density: 0.744g/cm³
• LogP: 2.24750
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 109.0658271
• Heavy Atom Count: 6
• Complexity: 13.1

Purity/Quality:

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

Butylamine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38-36-25
• Safety Statements: 26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN.Cl
• Uses: Butylamine Hydrochloride is a miscellaneous reagent used in the synthesis of benzamides for the synthesis of various drugs and polymers.

Technology Process of Butylamine hydrochloride

There total 29 articles about Butylamine hydrochloride 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%

n-Butyl chloride (109-69-3) → n-butylamine hydrochloride (3858-78-4)

Guidance literature:

With ammonium hydroxide; In methanol; at 160 ℃; for 0.166667h; under 18100.7 Torr; chemoselective reaction; Flow reactor;

DOI:10.1021/acs.joc.8b02387

Reference yield: 90.0%

1-nitrobutane (627-05-4) → n-butylamine hydrochloride (3858-78-4)

Guidance literature:

1-nitrobutane; With C₃₆H₅₆Cl₃CrN₂O; magnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 60 ℃; for 24h; Inert atmosphere; Schlenk technique;

With hydrogenchloride; In tetrahydrofuran; water; ethyl acetate; at 20 ℃;

DOI:10.1021/jacs.0c12318

Reference yield: 90.0%

bis(N-(n-butyl)salicylaldiminato)nickel(II) (1091611-04-9,35594-78-6,13986-36-2) + ammonium chloride → bis(N-salicylaldimino)nickel(II) (14283-99-9,36186-03-5) + n-butylamine hydrochloride (3858-78-4)

Guidance literature:

In methanol; stirring the soln. for 30 min between room temp. and 60°C, pptn.; filtration, washing with water, recrystn. from acetone;

DOI:10.1016/S0020-1693(00)83239-9

upstream raw materials:

N-chloro-n-butylamine

N-butylamine

diisopropyl N-butylphosphoramidate

chloranil

Downstream raw materials:

N-(5-methylfurfuryl)-n-butylamine

N-butylacetamide

n-butyl isocyanide

N-butylpyridin-4-amine

Refernces

• 1、 Zhao, Lixing,Hu, Chenyang,Cong, Xuefeng,Deng, Gongda,Liu, Liu Leo,Luo, Meiming,Zeng, Xiaoming. "Cyclic (Alkyl)(amino)carbene Ligand-Promoted Nitro Deoxygenative Hydroboration with Chromium Catalysis: Scope, Mechanism, and Applications". supporting information. p. 1618 - 1629. Retrieved 2021/01/25.
• 2、 Clarke, Joshua A.,Nikonov, Georgii I.,van der Est, Art. "Base-Catalyzed Hydrosilylation of Nitriles to Amines and Esters to Alcohols". supporting information. p. 4434 - 4439. Retrieved 2021/08/30.