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1,3-Benzenedicarboxylic acid, 5-(2-propenyloxy)-, dimethyl ester is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 21368-39-8 Structure
  • Basic information

    1. Product Name: 1,3-Benzenedicarboxylic acid, 5-(2-propenyloxy)-, dimethyl ester
    2. Synonyms:
    3. CAS NO:21368-39-8
    4. Molecular Formula: C13H14O5
    5. Molecular Weight: 250.251
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 21368-39-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1,3-Benzenedicarboxylic acid, 5-(2-propenyloxy)-, dimethyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1,3-Benzenedicarboxylic acid, 5-(2-propenyloxy)-, dimethyl ester(21368-39-8)
    11. EPA Substance Registry System: 1,3-Benzenedicarboxylic acid, 5-(2-propenyloxy)-, dimethyl ester(21368-39-8)
  • 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: 21368-39-8(Hazardous Substances Data)

21368-39-8 Usage

Physical state

Colorless, flammable liquid

Odor

Fruity

Uses

a. Production of polyethylene terephthalate (PET) resins and fibers
b. Manufacturing of plasticizers to improve plastic flexibility, durability, and workability
c. Intermediate in the synthesis of pharmaceuticals, dyes, and pigments

Toxicity

Low acute toxicity

Health hazards

Prolonged exposure to high concentrations may cause irritation to the respiratory system and skin

Environmental and health concerns

Proper handling and storage measures are necessary due to potential hazards

Chemical structure

1,3-Benzenedicarboxylic acid with a 5-(2-propenyloxy) group and two methyl ester groups attached to the carboxylic acid functional groups

Check Digit Verification of cas no

The CAS Registry Mumber 21368-39-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,3,6 and 8 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 21368-39:
(7*2)+(6*1)+(5*3)+(4*6)+(3*8)+(2*3)+(1*9)=98
98 % 10 = 8
So 21368-39-8 is a valid CAS Registry Number.

21368-39-8SDS

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 dimethyl 5-prop-2-enoxybenzene-1,3-dicarboxylate

1.2 Other means of identification

Product number -
Other names dimethyl 5-allyloxy-isophthalate

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:21368-39-8 SDS

21368-39-8Relevant articles and documents

WDR5 INHIBITORS AND MODULATORS

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Paragraph 00144; 00224, (2020/06/10)

Isoquinolinone compounds and derivatives inhibit WDR5 and associated protein-protein interactions, and the compounds and their pharmaceutical compositions are useful for treating disorders and conditions in a subject, such as cancer cell proliferation.

Tuning the adsorption behaviors of water, methanol, and ethanol in a porous material by varying the flexibility of substituted groups

Sha, Yunfei,Bai, Shizhe,Lou, Jiaying,Wu, Da,Liu, Baizhan,Ling, Yun

, p. 7235 - 7239 (2016/06/01)

Exploring the adsorption and separation of water, methanol, and ethanol is important concerning the use of a sustainable energy source from biofuel. In this paper, the effects of the flexibility of substituted groups have been studied based on three iso-reticular metal-organic frameworks (MOFs), in which the pore surface is decorated with propargyl (-CH2-C≡CH), allyl (-CH2-CH=CH2), and propyl (-CH2-CH2-CH3) groups respectively. These substituted groups stretch into the channel, acting as gates, and the gate-opening for guests is controlled by the flexibility as well as host-guest interactions. Our study results indicate that (i) the adsorption capacity of water, methanol and ethanol enhances accordingly with the increase of the flexibility of substituted groups; (ii) the adsorptive discrimination of water, methanol, and ethanol on this porous sorbent could be tuned by varying the substituted groups.

A Modular Synthesis of Multidentate S-, N- and O-Containing Meta- and Paracyclophanes

Rasheed, Omer K.,Bailey, Patrick D.,Lawrence, Amy,Quayle, Peter,Raftery, James

, p. 6988 - 6993 (2015/11/16)

The development of a modular approach to macrocycle assembly has enabled the synthesis of a library of pyridine-based macrocycles possessing multiple donor sites where chirality was readily introduced from (R)- or (S)-alanine, a representative amino acid. The facile, regioselective, nucleophilic ring opening of aziridines by dithiols enabled the synthesis of thioether-based linkers which on subsequent alkylation provided access to optically pure macrocycles. A modular approach to macrocyclic assembly has enabled the synthesis of a library of macrocycles possessing multiple donor sites where chirality was readily introduced from (S)-alanine. Key to this approach was the facile, regioselective, nucleophilic ring opening of aziridines by dithiols followed by macrocylisation under conditions of high dilution.

Zn2+ complexes of 3,5-Bis[(1,5,9-triazacyclododecan-3-yloxy) methyl]phenyl conjugates of oligonucleotides as artificial RNases: The effect of oligonucleotide conjugation on uridine selectivity of the cleaving agent

Niittymaeki, Teija,Burakova, Ekaterina,Laitinen, Evelina,Leisvuori, Anna,Virta, Pasi,Loennberg, Harri

, p. 31 - 43 (2013/03/28)

2-(3,5-Bis{[1,5,9-tris(trifluoroacetyl)-1,5,9-triazacyclododecan-3-yloxy] methyl}phenoxy)ethanol was synthesized and converted to a O-(2-cyanoethyl)-N,N- diisopropylphosphoramidite building block, 12. 2′-O-Methyl oligoribonucleotides incorporating a 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl) tetrahydrofuran-2-yl)ethyl 4-oxopentanoate or a 2-{2-[2-({[(2R,4S,5R)-4-hydroxy- 5-(hydroxymethyl)tetrahydrofuran-2-yl]acetyl}amino)ethoxy]ethoxy}ethyl 4-oxopentanoate non-nucleosidic unit close to the 3′-terminus were assembled on a solid support, the 4-oxopentanoyl protecting groups were removed by treatment with hydrazinium acetate on-support, and 12 was coupled to the exposed OH function. The deprotected conjugates were purified by HPLC, and their ability to cleave a complementary RNA containing either uridine or some other nucleoside at the potential cleaving site was compared. Somewhat unexpectedly, conjugation to an oligonucleotide did not enhance the catalytic activity of the Zn2+-bis(azacrown) complex and virtually abolished its selectivity towards the uridine sites. Copyright

Solid-phase synthesis and acidolytic degradation of sterically congested oligoether dendrons

Karabline, Jeny,Portnoy, Moshe

experimental part, p. 4788 - 4794 (2012/08/08)

Up to third-generation sterically crowded polyether dendrons were prepared on a solid support, using a novel building block derived from dimethyl 5-hydroxyisophthalate via O-allylation/Claisen rearrangement key steps. These dendrons underwent smooth disas

OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF

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Page/Page column 200, (2012/05/05)

The invention provides novel beta-secretase inhibitors and methods for their including methods of treating Alzheimer's disease.

COMPOUNDS CONTAINING FUSED RINGS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF

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Page/Page column 89, (2011/11/01)

The invention provides novel beta-secretase inhibitors and methods for their use, including methods of treating Alzheimer's disease.

Novel photo-cross-linkable dendrimers having thermal de-cross-linking properties

Okamura, Haruyuki,Shirai, Masamitsu

scheme or table, p. 5087 - 5094 (2011/11/29)

Novel poly(aryl ether) type dendrimers having photo-cross-linking and thermal de-cross-linking properties were synthesized by a convergent method. A protected A2B monomer, 1-allyloxy-3,5-bis(bromomethyl)benzene, was newly prepared for the dendrimer synthesis. Palladium-catalyzed deprotection of an allyl group proceeded in high yields. The films of dendrimers containing a photoacid generator (PAG) became insoluble in solvents on irradiation. The irradiated films became soluble in solvents after baking at 120-200°C. The insolubilization and redissolution profiles were strongly affected by irradiation and baking conditions and the generation of the dendrimers. A reaction pathway was studied by TGA and DTA analysis and FT-IR spectroscopy.

Macrocyclic Compounds Useful as Bace Inhibitors

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Page/Page column 34, (2008/12/05)

The invention relates to novel macrocyclic compounds of the formula (I), in which all of the variables are as defined in the specification, the number of ring atoms included in the macrocyclic ring being 14, 15, 16 or 17, in free base form or in acid addition salt form, to their preparation, to their use as medicaments and to medicaments comprising them.

Inhibitors of the FEZ-1 metallo-β-lactamase

Lienard, Benoit M.R.,Horsfall, Louise E.,Galleni, Moreno,Frere, Jean-Marie,Schofield, Christopher J.

, p. 964 - 968 (2008/12/23)

Metallo-β-lactamases (MBLs) catalyze the hydrolysis of β-lactams including penicillins, cephalosporins and carbapenems. Starting from benzohydroxamic acid (1) structure-activity studies led to the identification of selective inhibitors of the FEZ-1 MBL, e.g., 2,5-substituted benzophenone hydroxamic acid 17 has a Ki of 6.1 ± 0.7 μM against the FEZ-1 MBL but does not significantly inhibit the IMP-1, BcII, CphA or L1 MBLs.

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