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3-Methyl-2-buten-1-amine, an organic compound with the molecular formula C5H11N, is a primary amine characterized by the presence of a butenyl group with the amine group attached to the second carbon of the butene chain. It is known for its strong odor and volatility as a volatile organic compound. This chemical is reactive with acids, bases, and oxidizing agents, necessitating careful handling in laboratory settings. Its versatility makes it a valuable building block in the synthesis of pharmaceuticals and agrochemicals, and it also finds use in the production of rubber chemicals, dyes, and surfactants.

13822-06-5

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13822-06-5 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
3-Methyl-2-buten-1-amine is used as a key building block in the synthesis of various pharmaceuticals and agrochemicals for its ability to form a wide range of chemical compounds that can exhibit biological activity.
Used in Rubber Chemicals Manufacturing:
3-Methyl-2-buten-1-amine is used as a precursor in the production of rubber chemicals, contributing to the development of materials with specific properties for various applications in the rubber industry.
Used in Dye Production:
In the dye industry, 3-Methyl-2-buten-1-amine is utilized as a starting material for the synthesis of dyes, taking advantage of its reactive amine group to create a variety of colored compounds.
Used in Surfactant Manufacturing:
3-Methyl-2-buten-1-amine is employed as a component in the manufacture of surfactants, where its chemical properties allow for the creation of surfactants with tailored properties for use in cleaning products and other applications.

Check Digit Verification of cas no

The CAS Registry Mumber 13822-06-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,8,2 and 2 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 13822-06:
(7*1)+(6*3)+(5*8)+(4*2)+(3*2)+(2*0)+(1*6)=85
85 % 10 = 5
So 13822-06-5 is a valid CAS Registry Number.
InChI:InChI=1/C5H11N/c1-5(2)3-4-6/h3H,4,6H2,1-2H3

13822-06-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-methylbut-2-en-1-amine

1.2 Other means of identification

Product number -
Other names N-Allyldimethylamine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13822-06-5 SDS

13822-06-5Relevant academic research and scientific papers

A Zn(ii)-functionalized COF as a recyclable catalyst for the sustainable synthesis of cyclic carbonates and cyclic carbamates from atmospheric CO2

Ghosh, Swarbhanu,Islam, Sk. Manirul,Sarkar, Somnath

, p. 1707 - 1722 (2022/03/02)

A simple covalent organic framework (COF) bearing β-ketoenamine units as a potential heterogeneous ligand for ZnII-catalyzed fixation and transformation of CO2 into value-added chemicals is reported. Catalytic investigations convincingly demonstrated that the ZnII-functionalized covalent organic framework (Zn@TpTta) exhibits perfect catalytic activity in the fixation of CO2 for diverse epoxides with various substituents under sustainable conditions. A variety of terminal epoxides and slightly more complicated disubstituted epoxides were transformed into the corresponding cyclic carbonates with satisfactory to excellent yields (i.e., 69 to 99% yield) upon exposure to CO2 (1 atm) under solvent-free conditions (sustainable approach). On the other hand, this ZnII-loaded covalent organic framework also displayed excellent performance in facilitating atmospheric cyclizative CO2 capture, which led to the formation of diverse cyclic carbamates (i.e., 61 to 94% yield) from unsaturated amine systems using N-iodosuccinimide (NIS) as an iodinating agent and PEG-400 as a biodegradable and green polymeric solvent under base-free conditions (sustainable approach). The newly synthesized COF-based catalyst, namely, Zn@TpTta, has been completely characterized by SEM (scanning electron microscopy), EDX (energy dispersive X-ray analysis), HRTEM (high-resolution transmission electron microscopy), BET (Brunauer-Emmett-Teller), PXRD (powder X-ray diffraction), XPS (X-ray photoelectron spectroscopy), ICP (inductively coupled plasma), etc. More intriguingly, the catalytic system could be recycled over five times without a noticeable loss of catalytic performance for both reactions. This study opens an avenue for the Zn(ii) embedded COF as a promising platform for regulating regioselectivity.

A metagenomics approach for new biocatalyst discovery: Application to transaminases and the synthesis of allylic amines

Baud, Damien,Jeffries, Jack W. E.,Moody, Thomas S.,Ward, John M.,Hailes, Helen C.

, p. 1134 - 1143 (2017/08/14)

Transaminase enzymes have significant potential for the sustainable synthesis of amines using mild aqueous reaction conditions. Here a metagenomics mining strategy has been used for new transaminase enzyme discovery. Starting from oral cavity microbiome samples, DNA sequencing and bioinformatics analyses were performed. Subsequent in silico mining of a library of contiguous reads built from the sequencing data identified 11 putative Class III transaminases which were cloned and overexpressed. Several screening protocols were used and three enzymes selected of interest due to activities towards substrates covering a wide structural diversity. Transamination of functionalized cinnamaldehydes was then investigated for the production of valuable amine building blocks.

Selectivity control by silver catalysts in the cycloisomerization of 1,6-enynes derived from propiolamides

Koo, Jaeyoung,Park, Hyun-Sub,Shin, Seunghoon

supporting information, p. 834 - 839 (2013/02/25)

Silver-catalyzed cycloisomerizations of 1,6-enynes derived from propiolamides led to a selective formation of Alder-ene type 1,4-dienes. Interestingly, AgNTf2 outperformed gold or platinum catalysts in terms of selectivity and reactivity, providing the 1,4-dienes at room temperature. The presence of C(5) carbonyl group in combination with Ag salts is key to the selectivity and the β-oxo coordinated silver carbenoids were proposed as an intermediate based on the reaction profiles.

Cyclizative atmospheric CO2 fixation by unsaturated amines with t-BuOI leading to cyclic carbamates

Takeda, Youhei,Okumura, Sota,Tone, Saori,Sasaki, Itsuro,Minakata, Satoshi

, p. 4874 - 4877,4 (2020/09/16)

A cyclizative atmospheric CO2 fixation by unsaturated amines such as allyl and propargyl amines under mild reaction conditions, efficiently leading to cyclic carbamates bearing a iodomethyl group, have been developed utilizing tert-butyl hypoiodite (t-BuOI).

Discovery of a cytokinin deaminase

Goble, Alissa M.,Fan, Hao,Sali, Andrej,Raushel, Frank M.

experimental part, p. 1036 - 1040 (2012/05/20)

An enzyme of unknown function within the amidohydrolase superfamily was discovered to catalyze the hydrolysis of N-6-substituted adenine derivatives, several of which are cytokinins. Cytokinins are a common type of plant hormone and N-6-substituted adenines are also found as modifications to tRNA. Patl2390, from Pseudoalteromonas atlantica T6c, was shown to hydrolytically deaminate N-6-isopentenyladenine to hypoxanthine and isopentenylamine with a k cat/Km of 1.2 × 107 M-1 s -1. Additional substrates include N-6-benzyl adenine, cis- and trans-zeatin, kinetin, O-6-methylguanine, N-6-butyladenine, N-6-methyladenine, N,N-dimethyladenine, 6-methoxypurine, 6-chloropurine, and 6-thiomethylpurine. This enzyme does not catalyze the deamination of adenine or adenosine. A comparative model of Patl2390 was computed using the three-dimensional crystal structure of Pa0148 (PDB code 3PAO) as a structural template, and docking was used to refine the model to accommodate experimentally identified substrates. This is the first identification of an enzyme that will hydrolyze an N-6-substituted side chain larger than methylamine from adenine.

GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES

-

Page/Page column 21; 24; 2/13, (2010/01/29)

Methods are provided for the catalytic hydroamination of compounds having an alkyne or allene functional group, in which the compound is contacted with ammonia or an amine in the presence of a catalytic amount of a gold complex under conditions sufficient for hydroamination to occur.

Homogeneous catalytic hydroamination of alkynes and allenes with ammonia

Lavallo, Vincent,Frey, Guido D.,Donnadieu, Bruno,Soleilhavoup, Michele,Bertrand, Guy

experimental part, p. 5224 - 5228 (2009/04/11)

(Chemical Equation Presented) A golden ticket to the synthesis of reactive nitrogen-containing compounds, such as imines, enamines, and allyl amines, through the addition of NH3 to unsaturated bonds is the cationic cyclic (alkyl)-(amino)carbene-gold(I) catalyst shown in blue (Dipp=diisopropylphenyl). An ideal initial step for the preparation of simple bulk chemicals, this reaction is also useful for the synthesis of more complex molecules (see examples).

Structure-selectivity relationship in the chemoselective hydrogenation of unsaturated nitriles

Kukula, Pavel,Koprivova, Klara

, p. 161 - 171 (2007/10/03)

Several unsaturated nitriles of various structures (cinnamonitrile, cyclohex-1-enyl-acetonitrile, acrylonitrile, 3,3-dimethyl-acrylonitrile, geranylnitrile, and 2- and 3-pentenenitrile) with different substituents at the double bond were hydrogenated over

Chemoselective hydrogenation of α,β-unsaturated nitriles

Kukula, Pavel,Studer, Martin,Blaser, Hans-Ulrich

, p. 1487 - 1493 (2007/10/03)

The chemoselective hydrogenation of cinnamonitrile to 3-phenylallylamine proceeds with up to 80% selectivity at conversions of > 90% with Raney cobalt and up to 60% selectivity with Raney nickel catalysts. Best results were obtained with a doped Raney cobalt catalyst (RaCo/Cr/Ni/Fe 2724) in ammonia saturated methanol at 100°C and 80 bar. Major problems are the formation of hydrocinnamonitrile and of secondary amines, and overreduction to 3-phenylpropylamine. Important parameters are the catalyst type and composition, the solvent type and the presence and concentration of ammonia. The catalytic system tolerates functional groups like OH, OMe, Cl, C=O, but not aromatic nitro groups. Preliminary experiments indicate that other unsaturated nitriles with di- or trisubstituted C=C bonds are also suitable substrates.

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