Welcome to LookChem.com Sign In|Join Free

CAS

  • or
METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE, also known as 2-(3-hydroxyprop-1-ynyl)benzoic acid methyl ester, is a chemical compound with the molecular formula C11H10O3. It is a derivative of benzoic acid, featuring a hydroxy group and a propynyl group at different positions on the benzene ring. This unique chemical structure and properties make it valuable in organic synthesis and chemical research, with potential applications in pharmaceuticals and other industrial uses.

103606-72-0 Suppliers

Post Buying Request

Recommended suppliersmore

  • Product
  • FOB Price
  • Min.Order
  • Supply Ability
  • Supplier
  • Contact Supplier
  • 103606-72-0 Structure
  • Basic information

    1. Product Name: METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE
    2. Synonyms: AKOS PRN-0006;METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE;Methyl 2-(3-hydroxyprop-1-yn-1-yl)benzoate;ethyl 2-(3-hydroxyprop-1-yn-1-yl)benzoate;Methyl 2-(3-hydroxyprop-1-yn-1-yl)
    3. CAS NO:103606-72-0
    4. Molecular Formula: C11H10O3
    5. Molecular Weight: 190.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 103606-72-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 337 °C at 760 mmHg
    3. Flash Point: 146.9 °C
    4. Appearance: /
    5. Density: 1.21 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE(103606-72-0)
    11. EPA Substance Registry System: METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE(103606-72-0)
  • Safety Data

    1. Hazard Codes: Xi
    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: 103606-72-0(Hazardous Substances Data)

103606-72-0 Usage

Uses

Used in Organic Synthesis:
METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE is used as a key intermediate in organic synthesis for the production of various chemical compounds. Its unique structure allows for versatile reactions and the formation of a wide range of derivatives, making it a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Chemical Research:
In the field of chemical research, METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE serves as a model compound for studying the reactivity and properties of benzoic acid derivatives. Its hydroxy and propynyl groups enable the investigation of various reaction mechanisms, such as electrophilic substitution, nucleophilic addition, and rearrangement reactions. METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE also provides insights into the influence of functional groups on the stability, reactivity, and selectivity of organic reactions.
Used in Pharmaceutical Industry:
METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE is used as a starting material or intermediate in the synthesis of pharmaceutical compounds. Its unique structure and functional groups can be exploited to design and develop new drugs with improved therapeutic properties, such as enhanced potency, selectivity, and bioavailability. METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE may also be used in the development of prodrugs, which can be converted into active pharmaceutical ingredients in the body.
Used in Other Industrial Applications:
Beyond its applications in organic synthesis and pharmaceuticals, METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE may also find use in other industries, such as materials science, where its unique structure could be employed to develop new polymers or coatings with specific properties. Additionally, it may be used as a chemical reagent or catalyst in various industrial processes, contributing to the efficiency and selectivity of these reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 103606-72-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,3,6,0 and 6 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 103606-72:
(8*1)+(7*0)+(6*3)+(5*6)+(4*0)+(3*6)+(2*7)+(1*2)=90
90 % 10 = 0
So 103606-72-0 is a valid CAS Registry Number.

103606-72-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name METHYL 2-(3-HYDROXYPROP-1-YNYL)BENZOATE

1.2 Other means of identification

Product number -
Other names Methyl 2-(3-hydroxyprop-1-yn-1-yl)benzoate

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:103606-72-0 SDS

103606-72-0Relevant articles and documents

Synthesis of biaryls using nickel-catalyzed [2+2+2] cocyclization

Sato, Yoshihiro,Ohashi, Kenji,Mori, Miwako

, p. 5231 - 5234 (1999)

Methods of synthesizing biaryls using nickel-catalyzed [2+2+2] cocyclization were developed. Two ways for the synthesis of biaryl using [2+2+2] cocyclization were investigated: one method is that biaryls synthesized from alkyne having a phenyl group and 2

Identification of small molecules blocking the pseudomonas aeruginosa type iii secretion system protein pcrv

Sundin, Charlotta,Saleeb, Michael,Spjut, Sara,Qin, Liena,Elofsson, Mikael

, p. 1 - 17 (2021/01/13)

Pseudomonas aeruginosa is an opportunistic bacterial pathogen that employs its type III secretion system (T3SS) during the acute phase of infection to translocate cytotoxins into the host cell cytoplasm to evade the immune system. The PcrV protein is located at the tip of the T3SS, facilitates the integration of pore-forming proteins into the eukaryotic cell membrane, and is required for translocation of cytotoxins into the host cell. In this study, we used surface plasmon resonance screening to identify small molecule binders of PcrV. A follow-up structure-activity relationship analysis resulted in PcrV binders that protect macrophages in a P. aeruginosa cell-based infection assay. Treatment of P. aeruginosa infections is challenging due to acquired, intrinsic, and adaptive resistance in addition to a broad arsenal of virulence systems such as the T3SS. Virulence blocking molecules targeting PcrV constitute valuable starting points for development of next generation antibacterials to treat infections caused by P. aeruginosa.

Enantioselective Lactonization by π-Acid-Catalyzed Allylic Substitution: A Complement to π-Allylmetal Chemistry

Aponick, Aaron,Kizhakkayil Mangadan, Arun Raj,Liu, Ji

supporting information, p. 22224 - 22229 (2021/09/09)

Asymmetric allylic alkylation (AAA) is a powerful method for the formation of highly useful, non-racemic allylic compounds. Here we present a complementary enantioselective process that generates allylic lactones via π-acid catalysis. More specifically, a

Umpolung Strategy for Arene C?H Etherification Leading to Functionalized Chromanes Enabled by I(III) N-Ligated Hypervalent Iodine Reagents

Mikhael, Myriam,Guo, Wentao,Tantillo, Dean J.,Wengryniuk, Sarah E.

, p. 4867 - 4875 (2021/09/14)

The direct formation of aryl C?O bonds via the intramolecular dehydrogenative coupling of a C?H bond and a pendant alcohol represents a powerful synthetic transformation. Herein, we report a method for intramolecular arene C?H etherification via an umpoled alcohol cyclization mediated by an I(III) N-HVI reagent. This approach provides access to functionalized chromane scaffolds from primary, secondary and tertiary alcohols via a cascade cyclization-iodonium salt formation, the latter providing a versatile functional handle for downstream derivatization. Computational studies support initial formation of an umpoled O-intermediate via I(III) ligand exchange, followed by competitive direct and spirocyclization/1,2-shift pathways. (Figure presented.).

Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters

Norseeda, Krissada,Chaisan, Nattawadee,Thongsornkleeb, Charnsak,Tummatorn, Jumreang,Ruchirawat, Somsak

, p. 16222 - 16236 (2019/12/25)

4-Chloroisocoumarins can be conveniently prepared from 2-alkynylaryloate esters via the activation of alkynes by electrophilic chlorine, generated in situ from N-chlorosuccinimide (NCS) in the presence of 10 mol % trimethylsilyl chloride (TMSCl), which leads to 6-endo-dig-selective chlorinative annulation to give the desired products in moderate to quantitative yields. The procedure employs readily available reagents and can be conveniently carried out on a wide scope of substrates under mild conditions (0 °C to rt). Furthermore, the reaction is scalable for gram-scale preparation of 4-chloroisocoumarins. Additionally, 4-bromo- and 4-iodoisocoumarins can be prepared in moderate to good yields by replacing NCS with N-bromosuccinimide (NBS) and N-iodosuccinimide (NIS), respectively.

Metal-Free Regioselective Chloroazidation of Internal Alkynes

Huang, Bin,Liffert, Raphael,Linden, Anthony,Gademann, Karl

supporting information, p. 981 - 984 (2019/01/04)

A metal-free, room temperature protocol for the regioselective chloroazidation of internal alkynes is disclosed. The reactions of internal alkynes with trimethylsilyl azide (TMSN3) in the presence of 1,3-dichloro-5,5-dimethylhydantoin (DCDMH) afforded the corresponding chloroazidoalkenes in good yields. This reaction has good functional group tolerance and is operationally simple.

Comparison between Conventional and Nonconventional Methods for the Synthesis of Some 2-Oxazolidinone Derivatives and Preliminary Investigation of Their Inhibitory Activity Against Certain Protein Kinases

Ziane,Mazari,Safer,Sad El Hachemi Amar,Ruchaud,Baratte,Bach

, p. 1061 - 1069 (2019/09/06)

A series of propargyl and allyl carbamates were prepared directly from propargyl and allyl alcohols and phenyl or cyclohexyl isocyanate or indirectly by generating the isocyanates in situ from the corresponding Cbz-protected amines. The obtained carbamate

Catalytic Dehydrative Lactonization of Allylic Alcohols

Liu, Ji,Miotto, Romain J.,Segard, Julien,Erb, Ashley M.,Aponick, Aaron

supporting information, p. 3034 - 3038 (2018/05/28)

A convenient strategy for the synthesis of phthalides and ?-butyrolactones is reported. The method utilizes readily prepared allylic alcohols in formal Au(I)- and Pd(II)-catalyzed SN2′ reactions. Using these catalysts, exclusive formation of the desired five-membered lactones is observed, completely avoiding the competing direct lactonization pathway that forms the undesired seven-membered ring with protic acids and alternative metal salts. This mild and operationally simple method notably tolerates exomethylene groups and should find use in both phthalide and terpene syntheses.

Design and synthesis of novel xanthine derivatives as potent and selective A2B adenosine receptor antagonists for the treatment of chronic inflammatory airway diseases

Basu, Sujay,Barawkar, Dinesh A.,Ramdas, Vidya,Patel, Meena,Waman, Yogesh,Panmand, Anil,Kumar, Santosh,Thorat, Sachin,Naykodi, Minakshi,Goswami, Arnab,Reddy, B. Srinivasa,Prasad, Vandna,Chaturvedi, Sandhya,Quraishi, Azfar,Menon, Suraj,Paliwal, Shalini,Kulkarni, Abhay,Karande, Vikas,Ghosh, Indraneel,Mustafa, Syed,De, Siddhartha,Jain, Vaibhav,Banerjee, Ena Ray,Rouduri, Sreekanth R.,Palle, Venkata P.,Chugh, Anita,Mookhtiar, Kasim A.

, p. 218 - 229 (2017/04/19)

Adenosine induces bronchial hyperresponsiveness and inflammation in asthmatics through activation of A2B adenosine receptor (A2BAdoR). Selective antagonists have been shown to attenuate airway reactivity and improve inflammatory cond

γ-Lactone Synthesis via Palladium(II)-Catalyzed Lactonization of Unactivated Methylene C(sp3)-H Bonds

Liu, Bin,Shi, Bing-Feng

supporting information, p. 2396 - 2400 (2016/09/28)

A palladium(II)-catalyzed intramolecular lactonization of unactivated methylene C(sp3)-H bonds using PIP bidentate auxiliary is described. This method provides an efficient and concise pathway to synthesize functionalized γ-lactones.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 103606-72-0