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METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE, also known as Methyl 4-(4-Chlorophenyl)benzoate, is an organic compound with the chemical formula C14H11ClO2. It is a white crystalline solid that is soluble in organic solvents. METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE is characterized by the presence of a methyl group, a chlorophenyl group, and a benzoyl group, which contribute to its unique chemical properties and potential applications.

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  • 89901-02-0 Structure
  • Basic information

    1. Product Name: METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE
    2. Synonyms: RARECHEM AL BF 1239;METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE;AKOS BAR-0279;Methyl 4'-chlorobiphenyl-4-carboxylate, 95%;Methyl 4-(4-chlorophenyl)benzoate
    3. CAS NO:89901-02-0
    4. Molecular Formula: C14H11ClO2
    5. Molecular Weight: 246.69
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 89901-02-0.mol
  • Chemical Properties

    1. Melting Point: 113-115°C
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE(89901-02-0)
    11. EPA Substance Registry System: METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE(89901-02-0)
  • Safety Data

    1. Hazard Codes: N
    2. Statements: 50/53
    3. Safety Statements: 60-61
    4. RIDADR: UN 3077 9 / PGIII
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: IRRITANT
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 89901-02-0(Hazardous Substances Data)

89901-02-0 Usage

Uses

Used in Chemical Synthesis:
METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE is used as a key intermediate in the synthesis of various organic compounds, particularly in the preparation of pharmaceuticals, agrochemicals, and other specialty chemicals. Its versatile structure allows for further functionalization and modification, making it a valuable building block in organic chemistry.
Used in Catalyst Preparation:
METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE is used as a precursor in the preparation of ionic compound-supported palladium complexes. These palladium complexes serve as efficient catalysts for the Suzuki-Miyaura coupling of aryl halides, a widely used cross-coupling reaction in organic synthesis. This reaction is particularly important for the formation of carbon-carbon bonds in the synthesis of biologically active molecules, pharmaceuticals, and advanced materials.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE is used as a starting material for the synthesis of various drug candidates. Its unique structure and reactivity make it a promising candidate for the development of new drugs with improved therapeutic properties.
Used in Agrochemical Industry:
METHYL 4'-CHLORO[1,1'-BIPHENYL]-4-CARBOXYLATE is also used in the agrochemical industry for the synthesis of active ingredients in pesticides and herbicides. Its ability to form stable complexes with metal ions makes it a potential candidate for the development of new agrochemicals with enhanced efficacy and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 89901-02-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,9,9,0 and 1 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 89901-02:
(7*8)+(6*9)+(5*9)+(4*0)+(3*1)+(2*0)+(1*2)=160
160 % 10 = 0
So 89901-02-0 is a valid CAS Registry Number.

89901-02-0 Well-known Company Product Price

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  • Alfa Aesar

  • (H51910)  Methyl 4'-chlorobiphenyl-4-carboxylate, 95%   

  • 89901-02-0

  • 1g

  • 478.0CNY

  • Detail
  • Alfa Aesar

  • (H51910)  Methyl 4'-chlorobiphenyl-4-carboxylate, 95%   

  • 89901-02-0

  • 5g

  • 1911.0CNY

  • Detail

89901-02-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 4-(4-chlorophenyl)benzoate

1.2 Other means of identification

Product number -
Other names 4'-Chlor-biphenyl-4-carbonsaeure-methylester

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:89901-02-0 SDS

89901-02-0Relevant articles and documents

para-Selective arylation and alkenylation of monosubstituted arenes using thianthreneS-oxide as a transient mediator

Chen, Xiao-Yue,Nie, Xiao-Xue,Wu, Yichen,Wang, Peng

supporting information, p. 5058 - 5061 (2020/05/18)

Using thianthreneS-oxide (TTSO) as a transient mediator,para-arylation and alkenylation of mono-substituted arenes have been demonstratedviaapara-selective thianthrenation/Pd-catalyzed thio-Suzuki-Miyaura coupling sequence under mild conditions. This reaction features a broad substrate scope, and functional group and heterocycle tolerance. The versatility of this approach was further demonstrated by late-stage functionalization of complex bioactive scaffolds, and direct synthesis of some pharmaceuticals, including Tetriprofen, Ibuprofen, Bifonazole, and LJ570.

Preparation method of para-substituted aryl compound

-

Paragraph 0409-0412, (2020/06/09)

The invention discloses a preparation method of a para-substituted aryl compound shown as a formula (I) which is described in the specfication. The preparation method is characterized by comprising the following step of: subjecting an aryl sulfonium salt shown as a formula (II) which is described in the specfication and boride to a coupling reaction in a solvent in an inert atmosphere under the action of alkali and a palladium catalyst to obtain the para-substituted aryl compound. According to the method, mono-substituted aromatic hydrocarbon is taken as a substrate, the aryl sulfonium salt isconstructed in situ, and the palladium catalyst catalyzes the aryl sulfonium salt constructed in situ to undergo the Suzuki-Miyaura coupling reaction, so a mono-substituted aromatic hydrocarbon para-arylation or alkenylation product is constructed quickly and efficiently. The method is mild in conditions, high in substrate universality and wide in tolerance of a heterocyclic coupling substrate.

An Active Palladium Colloidal Catalyst for the Selective Oxidative Heterocoupling of (Hetero)Aryl Boronic Acids

Sable, Vaibhav,Maindan, Karan,Bhilare, Shatrughn,Chrysochos, Nicolas,Schulzke, Carola,Kapdi, Anant R.

supporting information, p. 2489 - 2498 (2018/09/10)

A highly selective oxidative heterocoupling protocol for (hetero)aryl boronic acids with an active palladium colloidal catalyst was developed. The judicious choice of electronically different aryl boronic acids made possible such couplings under mild conditions, with air as oxidant, while embracing a wide substrate scope. This successful approach further allowed the development of a unique one-pot sequential oxidative heterocoupling/Suzuki–Miyaura cross-coupling tandem process for accessing substituted terphenyls.

Metal-free oxidative decarbonylative coupling of aromatic aldehydes with arenes: Direct access to biaryls

Tang, Ren-Jin,He, Qing,Yang, Luo

supporting information, p. 5925 - 5928 (2015/03/30)

A metal-free oxidative decarbonylative coupling of aromatic aldehydes with electron-rich or electron-deficient arenes to produce biaryl compounds was developed. This novel coupling was proposed to proceed via a non-chain radical homolytic aromatic substitution (HAS) type mechanism, based on the substrate scope, ortho-regioselectivity, radical trapping experiments and DFT calculation studies. With the ready availability of aromatic aldehydes and arenes, metal-free conditions should make this coupling attractive for the biaryl synthesis.

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