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3-Methoxycarbonyl-5-methylbenzoic acid is a chemical compound that belongs to the benzoic acids and derivatives category. It features a benzene ring with a carboxylic acid, a methyl group, and a methoxycarbonyl group attached to it. The specific positioning of these groups on the benzene ring results in its unique name. 3-METHOXYCARBONYL-5-METHYLBENZOIC ACID is significant in various chemical reactions and processes, and it is commonly utilized in chemical synthesis and research.

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  • 167299-68-5 Structure
  • Basic information

    1. Product Name: 3-METHOXYCARBONYL-5-METHYLBENZOIC ACID
    2. Synonyms: 3-METHOXYCARBONYL-5-METHYLBENZOIC ACID;3-Methoxycarbonyl-5-methylbenzoic acid 98%;M-Methyl 5-Methylisophthalate;3-Methoxycarbonyl-5-methylbenzoicacid98%;3-Methyl-5-[(methyloxy)carbonyl]benzoic acid
    3. CAS NO:167299-68-5
    4. Molecular Formula: C10H10O4
    5. Molecular Weight: 194.18
    6. EINECS: 1312995-182-4
    7. Product Categories: blocks;Carboxes
    8. Mol File: 167299-68-5.mol
  • Chemical Properties

    1. Melting Point: 154-158
    2. Boiling Point: 356.8 °C at 760 mmHg
    3. Flash Point: 143.3 °C
    4. Appearance: /
    5. Density: 1.243g/cm3
    6. Vapor Pressure: 1.04E-05mmHg at 25°C
    7. Refractive Index: 1.55
    8. Storage Temp.: Keep Cold
    9. Solubility: N/A
    10. PKA: 3.90±0.10(Predicted)
    11. CAS DataBase Reference: 3-METHOXYCARBONYL-5-METHYLBENZOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-METHOXYCARBONYL-5-METHYLBENZOIC ACID(167299-68-5)
    13. EPA Substance Registry System: 3-METHOXYCARBONYL-5-METHYLBENZOIC ACID(167299-68-5)
  • 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: 167299-68-5(Hazardous Substances Data)

167299-68-5 Usage

Uses

Used in Chemical Synthesis:
3-Methoxycarbonyl-5-methylbenzoic acid is used as a key intermediate in the synthesis of various organic compounds. Its unique structure allows it to participate in multiple chemical reactions, making it a valuable component in the creation of new molecules.
Used in Research:
In the field of scientific research, 3-Methoxycarbonyl-5-methylbenzoic acid is employed as a model compound to study the properties and reactivity of benzoic acid derivatives. This helps researchers understand the behavior of similar compounds and develop new methodologies for their synthesis and application.

Check Digit Verification of cas no

The CAS Registry Mumber 167299-68-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,7,2,9 and 9 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 167299-68:
(8*1)+(7*6)+(6*7)+(5*2)+(4*9)+(3*9)+(2*6)+(1*8)=185
185 % 10 = 5
So 167299-68-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H10O4/c1-6-3-7(9(11)12)5-8(4-6)10(13)14-2/h3-5H,1-2H3,(H,11,12)

167299-68-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Methoxycarbonyl-5-methylbenzoic acid

1.2 Other means of identification

Product number -
Other names 3-METHOXYCARBONYL-5-METHYLBENZOIC ACID

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:167299-68-5 SDS

167299-68-5Relevant articles and documents

Peptidomimetic plasmepsin inhibitors with potent anti-malarial activity and selectivity against cathepsin D

Zogota, Rimants,Kinena, Linda,Withers-Martinez, Chrislaine,Blackman, Michael J.,Bobrovs, Raitis,Pantelejevs, Teodors,Kanepe-Lapsa, Iveta,Ozola, Vita,Jaudzems, Kristaps,Suna, Edgars,Jirgensons, Aigars

, p. 344 - 352 (2018/12/11)

Following up the open initiative of anti-malarial drug discovery, a GlaxoSmithKline (GSK) phenotypic screening hit was developed to generate hydroxyethylamine based plasmepsin (Plm) inhibitors exhibiting growth inhibition of the malaria parasite Plasmodium falciparum at nanomolar concentrations. Lead optimization studies were performed with the aim of improving Plm inhibition selectivity versus the related human aspartic protease cathepsin D (Cat D). Optimization studies were performed using Plm IV as a readily accessible model protein, the inhibition of which correlates with anti-malarial activity. Guided by sequence alignment of Plms and Cat D, selectivity-inducing structural motifs were modified in the S3 and S4 sub-pocket occupying substituents of the hydroxyethylamine inhibitors. This resulted in potent anti-malarials with an up to 50-fold Plm IV/Cat D selectivity factor. More detailed investigation of the mechanism of action of the selected compounds revealed that they inhibit maturation of the P. falciparum subtilisin-like protease SUB1, and also inhibit parasite egress from erythrocytes. Our results indicate that the anti-malarial activity of the compounds is linked to inhibition of the SUB1 maturase plasmepsin subtype Plm X.

BACE-2 INHIBITORY COMPOUNDS AND RELATED METHODS OF USE

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Paragraph 0140; 0142, (2017/05/02)

Provided herein are novel compounds of Formulae I-III, and methods of using the same to selectively inhibit BACE2.

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