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[4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride is an organic compound with a unique structure that features a difluoromethyl group and a hydroxymethyl group attached to aromatic rings. This molecule is known for its potential applications in various chemical and pharmaceutical processes due to its distinct functional groups and reactivity.

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  • 444915-77-9 Structure
  • Basic information

    1. Product Name: [4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride
    2. Synonyms: [4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride;4-(Difluoromethyl)benzyl alcohol;[4-(Difluoromethyl)phenyl]methanol
    3. CAS NO:444915-77-9
    4. Molecular Formula: C8H8F2O
    5. Molecular Weight: 158.1453264
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 444915-77-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 234.5±35.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.205±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 14.08±0.10(Predicted)
    10. CAS DataBase Reference: [4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride(CAS DataBase Reference)
    11. NIST Chemistry Reference: [4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride(444915-77-9)
    12. EPA Substance Registry System: [4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride(444915-77-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 444915-77-9(Hazardous Substances Data)

444915-77-9 Usage

Uses

Used in Pharmaceutical Industry:
[4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with improved properties, such as enhanced bioavailability and selectivity.
Used in Chemical Synthesis:
In the field of chemical synthesis, [4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride serves as a versatile reactant for the preparation of difluoromethylated arenes. This is achieved through palladium-catalyzed difluoromethylation of arylboronic acids with bromodifluoroacetate, which is a significant method for introducing difluoromethyl groups into aromatic systems.
Used in Material Science:
[4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride may also find applications in material science, where its unique structure and properties can be utilized to develop new materials with specific characteristics, such as improved thermal stability or chemical resistance.

Check Digit Verification of cas no

The CAS Registry Mumber 444915-77-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,4,4,9,1 and 5 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 444915-77:
(8*4)+(7*4)+(6*4)+(5*9)+(4*1)+(3*5)+(2*7)+(1*7)=169
169 % 10 = 9
So 444915-77-9 is a valid CAS Registry Number.

444915-77-9Relevant articles and documents

Electrochemical-Promoted Nickel-Catalyzed Oxidative Fluoroalkylation of Aryl Iodides

Zou, Zhenlei,Li, Heyin,Huang, Mengjun,Zhang, Weigang,Zhi, Sanjun,Wang, Yi,Pan, Yi

supporting information, p. 8252 - 8256 (2021/11/01)

This work describes a general strategy for metal-catalyzed cross-coupling of fluoroalkyl radicals with aryl halides under electrochemical conditions. The contradiction between anodic oxidation of fluoroalkyl sulfinates and cathodic reduction of low-valent nickel catalysts can be well addressed by paired electrolysis, allowing for direct introduction of fluorinated functionalities into aromatic systems.

AMINOAZOLE DERIVATIVE

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Paragraph 0151-0152, (2019/02/09)

A compound, represented by the following formula or a medically acceptable salt thereof, having an effect of regulating the activity of an androgen receptor. In the formula, X represents S, O; Z represents (Ra)n-A- (CR13R14)0-1—(CR11R12)0-1; A represents aryl, heteroaryl; R1 represents alkyl, cycloalkyl, alkenyl, alkynyl, alkoxyalkyl, aryl, arylalkyl, heterocycle, heterocyclic alkyl; R2 represents hydrogen, halogen, alkyl, cycloalkyl, phenyl; R3 represents hydrogen, halogen, alkyl, cycloalkyl, alkoxyalkyl, alkenyl, alkynyl, cycloalkenyl, aryl, arylalkyl, heterocycle, heterocyclic alkyl, acyl, cycloalkylcarbonyl, benzoyl, spiroalkyl, adamantyl, silyl, R31R32NCO—; R4 and R5 represent hydrogen, halogen, alkyl, phenyl, and cycloalkyl.

A fluorine-containing methyl compounds and its preparation method (by machine translation)

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Paragraph 0179; 0180; 0185; 0186; 0187; 0188; 0260-0263, (2019/05/11)

The invention discloses a fluorine-containing methyl compounds and its preparation method. The invention provides a fluorine-containing shown as formula C methyl compounds, wherein R is aryl group containing, or, containing a hetero aryl group, and the aryl group or the heteroaryl on the aromatic carbon atom and CFm Hn Connected, m is 1 or 2, m + n=3. The compounds according to the prior art is difficult to make, the preparation method of the raw material and the catalyst are the ordinary industrial raw materials, cheap and easy to obtain, high reaction efficiency, high yield, after treatment is simple, low toxicity, environmental protection, functional group compatibility is good, broad-spectrum is strong, the production cost is low, it has very good market application prospect. (by machine translation)

TRIAZOLOPYRIMIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS

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Page/Page column 58; 59, (2019/08/26)

The present invention relates to compounds of general formula I, wherein the groups R1 and R2 are defined as in claim 1, which have valuable pharmacological properties, in particular bind to ghrelin O-acyl transferase (GOAT) and modulate its activity. The compounds are suitable for treatment and prevention of diseases which can be influenced by this receptor, such as metabolic diseases, in particular obesity.

Method for preparing alpha-aryl/heteroaryl/alkenyl-alpha,alpha-difluoromethyl compounds

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Paragraph 0141; 0142; 0143; 0150; 0151; 0152; 0221; 0222, (2018/09/08)

The invention discloses a method for preparing alpha-aryl/heteroaryl/alkenyl-alpha,alpha-difluoromethyl compounds. The preparation method for the alpha-aryl/heteroaryl/alkenyl-alpha,alpha-difluoromethyl compounds as shown in a formula C which is described

TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS

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, (2018/06/12)

Disclosed are methods for treating NMDA receptor-mediated disorders by administering certain NR2B subunit-selective NMDA (N methyl-D aspartate) antagonists. NMDA receptor-mediated disorders include autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders.

Chlorodifluoromethane-triggered formation of difluoromethylated arenes catalysed by palladium

Feng, Zhang,Min, Qiao-Qiao,Fu, Xia-Ping,An, Lun,Zhang, Xingang

, p. 918 - 923 (2017/09/01)

Difluoromethylated aromatic compounds are of increasing importance in pharmaceuticals, agrochemicals and materials. Chlorodifluoromethane (ClCF2H), an inexpensive, abundant and widely used industrial raw material, represents the ideal and most straightforward difluoromethylating reagent, but introduction of the difluoromethyl group (CF2H) from ClCF2H into aromatics has not been reported. Here, we describe a direct palladium-catalysed difluoromethylation method for coupling ClCF2H with arylboronic acids and esters to generate difluoromethylated arenes with high efficiency. The reaction exhibits a remarkably broad substrate scope, including heteroarylboronic acids, and was used for difluoromethylation of a range of pharmaceuticals and biologically active compounds. Preliminary mechanistic studies revealed that a palladium difluorocarbene intermediate is involved in the reaction. Although numerous metal-difluorocarbene complexes have been prepared, the catalytic synthesis of difluoromethylated or difluoromethylenated compounds involving metal-difluorocarbene complexes has not received much attention. This new reaction therefore also opens the door to understand metal- difluorocarbene complex catalysed reactions.

4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT

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, (2016/06/06)

There are provided 4-alkynylimidazole derivatives represented by the following general formula (I) or phamaceutically acceptable salts thereof; the derivatives have a superior EP4 receptor antagonistic action and are useful as pharmaceuticals for the trea

4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT

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, (2016/10/10)

There are provided 4-alkynylimidazole derivatives represented by the following general formula (I) or phamaceutically acceptable salts thereof; the derivatives have a superior EP4 receptor antagonistic action and are useful as pharmaceuticals for the trea

BICYCLIC AZAHETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS

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, (2016/07/05)

Disclosed are chemical entities of Formula (I): wherein R1 and Z are defined herein, as NR2B subtype selective receptor antagonists. Also disclosed are pharmaceutical compositions comprising a chemical entity of Formula (I), and methods of treating various diseases and disorders associated with NR2B antagonism, e.g., diseases and disorders of the CNS, such as depression, by administering a chemical entity of Formula (I).

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