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3,3-difluorocyclobutane-1-carbaldehyde is a chemical compound characterized by the molecular formula C5H6F2O. It is a colorless liquid with a distinctive pungent odor, known for its role as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty polymers. Additionally, it functions as a solvent in various chemical reactions. With a boiling point of 48-50°C and a melting point of -71°C, 3,3-difluorocyclobutane-1-carbaldehyde exhibits unique thermal properties that contribute to its utility in industrial applications. However, it is also recognized as a potential environmental hazard due to its high toxicity to aquatic organisms and the possibility of causing long-term ecological damage, necessitating careful handling and disposal.

1246765-49-0

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1246765-49-0 Usage

Uses

Used in Pharmaceutical Industry:
3,3-difluorocyclobutane-1-carbaldehyde serves as a crucial intermediate in the synthesis of various pharmaceuticals, contributing to the development of new medications and therapeutic agents. Its unique chemical structure allows for the creation of diverse drug molecules, enhancing the range of treatments available for different medical conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 3,3-difluorocyclobutane-1-carbaldehyde is utilized as an intermediate in the production of pesticides and other crop protection agents. Its incorporation into these products helps improve agricultural yields by protecting crops from pests and diseases, ensuring food security and contributing to sustainable agriculture practices.
Used in Specialty Polymers Production:
3,3-difluorocyclobutane-1-carbaldehyde is employed in the manufacturing of specialty polymers, which are high-performance materials with unique properties tailored for specific applications. These polymers find use in various industries, including automotive, aerospace, electronics, and medical fields, where their specialized characteristics provide enhanced performance and durability.
Used as a Solvent in Chemical Reactions:
3,3-difluorocyclobutane-1-carbaldehyde also functions as a solvent in a range of chemical reactions, facilitating processes that require specific conditions or the dissolution of particular substances. Its properties as a solvent make it valuable in the synthesis of complex organic compounds and in processes that demand precise control over reaction conditions.
Environmental Considerations:
Given the potential environmental hazards associated with 3,3-difluorocyclobutane-1-carbaldehyde, it is imperative that its use, handling, and disposal are conducted with the utmost care. Measures should be taken to minimize its release into aquatic ecosystems and to mitigate the risk of long-term environmental damage. This includes adhering to strict safety protocols, utilizing containment and treatment methods, and promoting research into safer alternatives or more sustainable practices.

Check Digit Verification of cas no

The CAS Registry Mumber 1246765-49-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,4,6,7,6 and 5 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1246765-49:
(9*1)+(8*2)+(7*4)+(6*6)+(5*7)+(4*6)+(3*5)+(2*4)+(1*9)=180
180 % 10 = 0
So 1246765-49-0 is a valid CAS Registry Number.

1246765-49-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,3-difluorocyclobutane-1-carbaldehyde

1.2 Other means of identification

Product number -
Other names 3,3-difluorocyclobutanecarboxaldehyde

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:1246765-49-0 SDS

1246765-49-0Downstream Products

1246765-49-0Relevant academic research and scientific papers

N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF

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Paragraph 00152, (2020/01/11)

A compound of Formula (I) is provided that has been shown to be useful for treating a disease caused by a viral infection: (I) wherein R1, R2, R3, A, L, m, n, p and q are as defined herein.

Difluorocyclobutylacetylenes as positive allosteric modulators of mGluR5 with reduced bioactivation potential

Degnan, Andrew P.,Maxwell, Darrell,Balakrishnan, Anand,Brown, Jeffrey M.,Easton, Amy,Gulianello, Michael,Hanumegowda, Umesh,Hill-Drzewi, Melissa,Miller, Regina,Santone, Kenneth S.,Senapati, Arun,Shields, Eric E.,Sivarao, Digavalli V.,Westphal, Ryan,Whiterock, Valerie J.,Zhuo, Xiaoliang,Bronson, Joanne J.,Macor, John E.

supporting information, p. 5871 - 5876 (2016/12/06)

Schizophrenia is a serious illness that affects millions of patients and has been associated with N-methyl-D-aspartate receptor (NMDAR) hypofunction. It has been demonstrated that activation of metabotropic glutamate receptor 5 (mGluR5) enhances NMDA receptor function, suggesting the potential utility of mGluR5 positive allosteric modulators (PAMs) in the treatment of schizophrenia. Herein we describe the optimization of an mGluR5 PAM by replacement of a phenyl with aliphatic heterocycles and carbocycles as a strategy to reduce bioactivation in a biaryl acetylene chemotype. Replacement with a difluorocyclobutane followed by further optimization culminated in the identification of compound 32, a low fold shift PAM with reduced bioactivation potential. Compound 32 demonstrated favorable brain uptake and robust efficacy in mouse novel object recognition (NOR) at low doses.

TRIAZOLE AGONISTS OF THE APJ RECEPTOR

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Paragraph 01401, (2016/12/07)

Compounds of Formula I and Formula II, pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and have use in treating cardiovascular and other conditions. Compounds of Formula I and Formula II have the following structures where the definitions of the variables are provided herein.

OXAZOLIDINONES AS MODULATORS OF MGLUR5

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Page/Page column 34, (2015/04/28)

The disclosure generally relates to compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands, agonists and partial agonists for the mGluR5 receptor and may be useful for the treatment of various disorders of the central nervous system.

Novel spiroketal pyrrolidine GSK2336805 potently inhibits key hepatitis C virus genotype 1b mutants: From lead to clinical compound

Kazmierski, Wieslaw M.,Maynard, Andrew,Duan, Maosheng,Baskaran, Sam,Botyanszki, Janos,Crosby, Renae,Dickerson, Scott,Tallant, Matthew,Grimes, Rick,Hamatake, Robert,Leivers, Martin,Roberts, Christopher D.,Walker, Jill

, p. 2058 - 2073 (2014/04/03)

Rapid clinical progress of hepatitis C virus (HCV) replication inhibitors, including these selecting for resistance in the NS5A region (NS5A inhibitors), promises to revolutionize HCV treatment. Herein, we describe our explorations of diverse spiropyrrolidine motifs in novel NS5A inhibitors and a proposed interaction model. We discovered that the 1,4-dioxa-7-azaspiro[4.4]nonane motif in inhibitor 41H (GSK2236805) supported high potency against genotypes 1a and 1b as well as in genotype 1b L31V and Y93H mutants. Consistent with this, 41H potently suppressed HCV RNA in the 20-day RNA reduction assay. Pharmacokinetic and safety data supported further progression of 41H to the clinic.

ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS

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Paragraph 0169; 0170, (2014/03/25)

The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6 and R7 are as defined herein. The inventi

Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases

-

, (2012/05/21)

The present invention relates to novel compounds of formula (I) and pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising said compounds, processes for making said compounds, and their use as medicaments for treatment and/or prevention of Aβ-related diseases.

4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES

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Page/Page column 67, (2010/11/03)

Mineralocorticoid receptor antagonists (MRa), pharmaceutical compositions containing such inhibitors and the use of such inhibitors to treat, for example, diabetic nephropathy and hypertension in mammals, including humans.

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