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4-CHLORO-BUTYRALDEHYDE, also known as 4-chlorobutanal, is a chemical compound characterized by the molecular formula C4H7ClO. It presents as a colorless to pale yellow liquid with a distinct pungent odor. 4-CHLORO-BUTYRALDEHYDE is recognized for its high reactivity and is utilized as a crucial intermediate in the synthesis of various pharmaceuticals and agrochemicals. Additionally, it finds application in the production of fragrances and flavoring agents. Due to its potential to cause irritation to the skin, eyes, and respiratory system, as well as its flammability, 4-CHLORO-BUTYRALDEHYDE requires careful handling and adherence to stringent safety protocols.

6139-84-0

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6139-84-0 Usage

Uses

Used in Pharmaceutical Industry:
4-CHLORO-BUTYRALDEHYDE serves as a vital intermediate in the synthesis of various pharmaceutical compounds. Its reactivity allows for the creation of a wide range of medicinal agents, contributing to the development of new treatments and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, 4-CHLORO-BUTYRALDEHYDE is utilized in the production of different agrochemicals, playing a significant role in the development of pesticides and other agricultural chemicals that are essential for crop protection and yield enhancement.
Used in Fragrance and Flavoring Industry:
4-CHLORO-BUTYRALDEHYDE is employed in the creation of fragrances and flavoring agents, adding to the diversity of scents and tastes in various consumer products. Its chemical properties enable the production of unique and complex aromas and flavors.
Used as a Chemical Intermediate:
Due to its high reactivity, 4-CHLORO-BUTYRALDEHYDE is used as a chemical intermediate in various industrial processes, facilitating the synthesis of a broad spectrum of chemical products beyond the pharmaceutical, agrochemical, and fragrance/flavoring industries.

Check Digit Verification of cas no

The CAS Registry Mumber 6139-84-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,1,3 and 9 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 6139-84:
(6*6)+(5*1)+(4*3)+(3*9)+(2*8)+(1*4)=100
100 % 10 = 0
So 6139-84-0 is a valid CAS Registry Number.
InChI:InChI=1/C4H7ClO/c5-3-1-2-4-6/h4H,1-3H2

6139-84-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-CHLORO-BUTYRALDEHYDE

1.2 Other means of identification

Product number -
Other names 4-chlorbutanal

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:6139-84-0 SDS

6139-84-0Relevant articles and documents

CpRu/Br?nsted Acid-Catalyzed Enantioselective Dehydrative Cyclization of Pyrroles N-Tethered with Allylic Alcohols

Iwase, Shoutaro,Kitamura, Masato,Suzuki, Yusuke,Tanaka, Shinji

, (2020)

A cationic CpRu/halogen/Br?nsted acid hybrid catalyst (R ?cat) with the axially chiral Cl-Naph-PyCOOH ligand (naph = naphthyl, py = pyridine) is highly efficient for dehydrative cyclization of pyrroles to construct 1,2-fused-2-allylated pyrroles that, so far, have not been achieved. The mechanistic study has implied that hydrogen and halogen bonds play a key role for facilitating the R,SRu-catalyzed reaction pathway via a σ-allyl intermediate and that the diastereomeric R,RRu ?cat slowly gives the minor enantiomer via a π-allyl intermediate.

DNA-binding studies of a tetraalkyl-substituted porphyrin and the mutually adaptive distortion principle

Ghimire, Srijana,Fanwick, Phillip E.,McMillin, David R.

, p. 11108 - 11118 (2014)

This investigation explores DNA-binding interactions of various forms of an alkyl-substituted cationic porphyrin, H2TC3 (5,10,15,20-tetra[3-(3′-methylimidazolium-1′-yl)]-porphyrin). The motivating idea is that incorporating alkyl rather than aryl substituents in the meso positions will enhance the prospects for intercalative as well as external binding to DNA hosts. The ligands may also be applicable for photodynamic and/or anticancer therapy. Methods employed include absorbance, circular dichroism, and emission spectroscopies, as well as viscometry and X-ray crystallography. By comparison with the classical H2T4 system, H2TC3 exhibits a higher molar extinction coefficient but is more prone to self-association. Findings of note include that the copper(II)-containing form Cu(TC3) is adept at internalizing into single-stranded as well as B-form DNA, regardless of the base composition. Surprisingly, however, external binding of H2TC3 occurs within domains that are rich in adenine-thymine base pairs. The difference in the deformability of H2TC3 versus Cu(TC3) probably accounts for the reactivity difference. Finally, Zn(TC3) binds externally, as the metal center remains five-coordinate.

Synthesis, biological evaluation, and pharmacophore generation of uracil, 4(3H)-pyrimidinone, and uridine derivatives as potent and selective inhibitors of parainfluenza 1 (Sendai) virus

Saladino,Crestini,Palamara,Danti,Manetti,Corelli,Garaci,Botta

, p. 4554 - 4562 (2001)

Several new 6-oxiranyl-, 6-oxiranylmethyluracils, and pyrimidinone derivatives, synthesized by lithiation-alkylation sequence of 1,3,6-trimethyluracil, 1,3-dimethyl-6-chloromethyluracil, and 2-alkoxy-6-methyl-4(3H)-pyrimidinones, showed a potent and selective antiviral activity against Sendai virus (SV) replication. To gain insight into the structural features required for SV inhibition activity, the new compounds were submitted to a pharmacophore generation procedure using the program Catalyst. The resulting pharmacophore model showed high correlation and predictive power. It also rationalized the relationships between structural properties and biological data of these inhibitors of SV replication.

Synthesis of the tricyclic ABC ring subunit of mazamine A

Li, Shouming,Kosemura, Seiji,Yamamura, Shosuke

, p. 6661 - 6676 (1998)

A new approach to the construction of the pyrrolo[2, 3 -i] isoquinoline, the core structure of manzamine A, is described.

Organocatalytic diastereo- And enantioselective oxa-hetero-Diels-Alder reactions of enones with aryl trifluoromethyl ketones for the synthesis of trifluoromethyl-substituted tetrahydropyrans

Pasha, Maira,Tanaka, Fujie

supporting information, p. 9242 - 9250 (2021/11/16)

Tetrahydropyran derivatives are found in bioactives, and introduction of the trifluoromethyl group into molecules often improves biofunctions. Here we report diastereo- and enantioselective oxa-hetero-Diels-Alder reactions catalyzed by amine-based catalyst systems that afford trifluoromethyl-substituted tetrahydropyranones. Catalyst systems and conditions suitable for the reactions to provide the desired diastereomer products with high enantioselectivities were identified, and various trifluoromethyl-substituted tetrahydropyranones were synthesized with high diastereo- and enantioselectivities. Mechanistic investigation suggested that the reactions involve a [4 + 2] cycloaddition pathway, in which the enamine of the enone acts as the diene and the ketone carbonyl group of the aryl trifluoromethyl ketone acts as the dienophile. In this study, tetrahydropyran derivatives with the desired stereochemistry that are difficult to synthesize by previously reported methods were concisely obtained, and the range of tetrahydropyran derivatives that can be synthesized was expanded. This journal is

NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF

-

Paragraph 0562, (2020/06/08)

The present disclosure relates to novel compounds having estrogen receptor alpha degradation activity, pharmaceutical compositions containing such compounds, and their use in prevention and treatment of cancer and related diseases and conditions.

Palladium/Copper-catalyzed Oxidation of Aliphatic Terminal Alkenes to Aldehydes Assisted by p-Benzoquinone

Komori, Saki,Yamaguchi, Yoshiko,Murakami, Yuka,Kataoka, Yasutaka,Ura, Yasuyuki

, p. 3946 - 3955 (2020/07/06)

The development of an anti-Markovnikov Wacker-type oxidation for simple aliphatic alkenes is a significant challenge. Herein, a variety of aldehydes can be selectively obtained from various unbiased aliphatic terminal alkenes using PdCl2(MeCN)2/CuCl in the presence of p-benzoquinone (BQ) under mild reaction conditions. Isomerization of the terminal alkene to the internal alkene was suppressed via slow addition of the starting material to the reaction mixture. In addition to the Pd catalyst, CuCl and BQ were essential in order to obtain the anti-Markovnikov product with high selectivity. Terminal alkenes bearing a halogen substituent afforded their corresponding aldehydes with high anti-Markovnikov selectivity. The halogen acts as a directing group in the reaction. DFT calculations indicate that a μ-chloro Pd(II)?Cu(I) bimetallic species with BQ coordinated to Cu is the catalytically active species in the case of a terminal alkene without a directing group.

Photo-organocatalytic synthesis of acetals from aldehydes

Nikitas, Nikolaos F.,Triandafillidi, Ierasia,Kokotos, Christoforos G.

supporting information, p. 669 - 674 (2019/02/14)

A mild and green photo-organocatalytic protocol for the highly efficient acetalization of aldehydes has been developed. Utilizing thioxanthenone as the photocatalyst and inexpensive household lamps as the light source, a variety of aromatic and aliphatic aldehydes have been converted into acyclic and cyclic acetals in high yields. The reaction mechanism was extensively studied.

IDO inhibitors

-

Page/Page column 303; 304, (2018/09/02)

Presently provided are methods for (a) modulating an activity of indoleamine 2,3-dioxygenase comprising contacting an indoleamine 2,3-dioxygenase with a modulation effective amount of a compound as described in one of the aspects described herein; (b) treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression in a subject in need thereof, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (c) treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine-2,3-dioxygenase comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (d) enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent and a compound as described in one of the aspects described herein; (e) treating tumor-specific immunosuppression associated with cancer comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; and (f) treating immunosuppression associated with an infectious disease, e.g., HIV-I infection, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount a compound as described in one of the aspects described herein.

Asymmetric Reductive Carbocyclization Using Engineered Ene Reductases

Heckenbichler, Kathrin,Schweiger, Anna,Brandner, Lea Alexandra,Binter, Alexandra,Toplak, Marina,Macheroux, Peter,Gruber, Karl,Breinbauer, Rolf

supporting information, p. 7240 - 7244 (2018/06/15)

Ene reductases from the Old Yellow Enzyme (OYE) family reduce the C=C double bond in α,β-unsaturated compounds bearing an electron-withdrawing group, for example, a carbonyl group. This asymmetric reduction has been exploited for biocatalysis. Going beyond its canonical function, we show that members of this enzyme family can also catalyze the formation of C?C bonds. α,β-Unsaturated aldehydes and ketones containing an additional electrophilic group undergo reductive cyclization. Mechanistically, the two-electron-reduced enzyme cofactor FMN delivers a hydride to generate an enolate intermediate, which reacts with the internal electrophile. Single-site replacement of a crucial Tyr residue with a non-protic Phe or Trp favored the cyclization over the natural reduction reaction. The new transformation enabled the enantioselective synthesis of chiral cyclopropanes in up to >99 % ee.

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