85070-48-0

Basic information

• Product Name: 3-Chloro-2-fluorobenzaldehyde
• Synonyms: 3-CHLORO-2-FLUOROBENZALDEHYDE;TIMTEC-BB SBB003987;3-Chloro-2-fluorobenzaldehyde 97%;3-Chloro-2-fluorobenzaldehyde97%;2-fluoro-3-chloro-benzaldehyde;3-Chloro-2-Flourobenzaldehyde;Benzaldehyde,3-chloro-2-fluoro-
• CAS NO: 85070-48-0
• Molecular Formula: C₇H₄ClFO
• Molecular Weight: 158.56
• Product Categories: Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde;Aryl;Building Blocks;Fluorinated;Aldehydes;C7;Carbonyl Compounds
• Mol File: 85070-48-0.mol

Chemical Properties

• Boiling Point: 214 °C(lit.)
• Flash Point: 186 °F
• Appearance: light yellow liquid
• Density: 1.35 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.16mmHg at 25°C
• Refractive Index: n20/D 1.545(lit.)
• Storage Temp.: Refrigerator
• Sensitive: Air Sensitive
• BRN: 5861249
• CAS DataBase Reference: 3-Chloro-2-fluorobenzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Chloro-2-fluorobenzaldehyde(85070-48-0)
• EPA Substance Registry System: 3-Chloro-2-fluorobenzaldehyde(85070-48-0)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 85070-48-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Chloro-2-fluorobenzaldehyde is used as an intermediate for the synthesis of small-molecule inhibitors of MDM2-p53 interaction, which are antitumor agents. These inhibitors have the potential to modulate the interaction between MDM2 and p53 proteins, leading to the activation of p53-mediated tumor suppression pathways and the inhibition of tumor growth.
Used in Obesity Treatment:
3-Chloro-2-fluorobenzaldehyde is also used in the preparation of flavonoid derivatives as selective neuromedin U 2 receptor agonists. These agonists have the potential to modulate the neuromedin U 2 receptor, which is involved in the regulation of appetite and energy expenditure. By activating this receptor, these flavonoid derivatives may help in the treatment of obesity by reducing food intake and increasing energy expenditure.

InChI:InChI=1/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H

Upstream product

• 261723-30-2 (3-chloro-2-fluorophenyl)methanol 
• 94087-40-8 3-chloro-2-fluorobenzonitrile 
• 6574-97-6 2,3-dichlorobenzonitrile 
• 85070-47-9 1-(bromomethyl)-3-chloro-2-fluorobenzene 
• 79-46-9 2-nitropropane 
• 85089-31-2 3-chloro-2-fluorotoluene 

Downstream Products

• 161957-55-7 3‐chloro‐2‐fluorobenzoic acid 
• 699016-13-2 N-[(1R)-2-[4-[(2-chloro-6-formylphenyl)-thio]phenyl]-1-methylethyl]-2,2,2-trifluoroacetamide 

Relevant articles and documents

A 2-fluoro-3-chlorobenzene process for the preparation of formaldehyde

The invention relates to the field of fine chemical intermediates, in particular to a preparation method for 2-fluoro-3-chlorobenzaldehyde, namely, a fluorine-containing medical intermediate. According to the method, 2,3-dichlorobenzonitrile serves as raw materials, and 2-fluoro-3-chlorobenzaldehyde is obtained after fluorination, hydrolysis, oxidation and reduction are conducted. The method is low in raw material cost, high in apparent availability, mature and stable in reaction technology, high in operability and beneficial to industrial production.

Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part I: Exploration of 5-6 fused rings as alternative S1 moieties

A series of cis-1,2-diaminocyclohexane derivatives were synthesized with the aim of optimizing previously disclosed factor Xa (fXa) inhibitors. The exploration of 5-6 fused rings as alternative S1 moieties resulted in two compounds which demonstrated improved solubility and reduced food effect compared to the clinical candidate, compound A. Herein, we describe the synthesis and structure-activity relationship (SAR), together with the physicochemical properties and pharmacokinetic (PK) profiles of some prospective compounds.

Diamine derivatives

A compound represented by the general formula (1): Q1-Q2-T0-N(R1)-Q3-N(R2)-T1-Q4??(1) wherein R1 and R2 are hydrogen atoms or the like; Q1 is a saturated or unsaturated, 5- or 6-membered cyclic hydrocarbon group which may be substituted, or the like; Q2 is a single bond or the like; Q3 is a group in which Q5 is an alkylene group having 1 to 8 carbon atoms, or the like; and T0 and T1 are carbonyl groups or the like; a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

DIAMINE DERIVATIVES

A compound represented by formula (1):Q1-Q2-To-N(R1) -Q3-N(R2)-T1-Q4 [wherein R1 and R2 are hydrogen atoms or the like; Q1 is a saturated or unsaturated, 5- or 6- membered cyclic hydrocarbon group which may be substituted, or the like; Q2 is a single bond or the like; Q3 represents the following group: (wherein Q5 is an alkylene group having 1 to 8 carbon atoms, or the like); and T0 and T1 are carbonyl groups or the like], a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after artificial valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

DIAMINE DERIVATIVES

A compound represented by the general formula (1):Q1-Q2-T0-N(R1)-Q3-N(R2)-T1-Q4 wherein R1 and R2 are hydrogen atoms or the like; Q1 is a saturated or unsaturated, 5- or 6- membered cyclic hydrocarbon group which may be substituted, or the like; Q2 is a single bond or the like; Q3 is a group in which Q5 is an alkylene group having 1 to 8 carbon atoms, or the like; and T0 and T1 are carbonyl groups or the like; a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

Synthesis and antihypertensive activity of 1,4-dihydropyridine derivatives with a 4-(disubstituted phenyl) ring and an aminoalkyl ester group: Highly potent and long-lasting calcium antagonists

New 1,4-dihydropyridine derivatives bearing a 4-(disubstituted phenyl) ring and an aminoethyl ester or an amino-2,2-dimethylpropyl ester were synthesized and their antihypertensive activities were examined in normotensive rats and spontaneously hypertensi