Cas no 18358-63-9 (Methyl 4-(methylamino)benzoate)

Methyl 4-(methylamino)benzoate is a benzoate ester derivative characterized by the presence of a methylamino substituent at the para position of the aromatic ring. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, dyes, and UV absorbers. Its structural features, including the ester and secondary amine functional groups, contribute to its reactivity and versatility in chemical transformations. The compound exhibits moderate solubility in organic solvents, facilitating its use in various reaction conditions. Its stability under standard storage conditions and well-defined chemical properties make it a reliable reagent for research and industrial applications.
Methyl 4-(methylamino)benzoate structure
18358-63-9 structure
Product Name:Methyl 4-(methylamino)benzoate
CAS No:18358-63-9
MF:C9H11NO2
MW:165.189142465591
MDL:MFCD00017198
CID:87942
PubChem ID:140375
Update Time:2025-06-25

Methyl 4-(methylamino)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-(methylamino)benzoate
    • Methyl 4-methylaminobenzoate
    • 4-Methylaminobenzoic acid methyl ester
    • 4-Methylamino-benzoic acid methyl ester
    • Methyl-(4-merthylamino)benzoate
    • 4-(carbomethoxy)-N-methylaniline
    • 4-(N-methylamino)benzoic acid methyl ester
    • Benzoic acid,4-(methylamino)-,methyl ester
    • Methyl 4(methylamino)benzoate
    • methyl 4-(N-methyl)aminobenzoate
    • methyl N-methyl-4-aminobenzoate
    • Methyl p-(N-methylamino)benzoate
    • Methyl p-(methylamino)benzoate
    • NSC 109525
    • NSC 117658
    • METHYL 4-(N-METHYLAMINO)BENZOATE
    • N-Methyl-4-methoxycarbonylaniline
    • 4-(Methoxycarbonyl)-N-methylaniline
    • Methyl 4-methylaminobenzoate ,98%
    • Benzoic acid, 4-(methylamino)-, methyl ester
    • LLAMGYUWYUMHCH-UHFFFAOYSA-N
    • methyl 4-methylaninobenzoate
    • 4-carbomethoxy-N-methylaniline
    • methyl 4-(methylamino)-benzoate
    • METHYL-4-METHYLAMINOBENZOATE
    • SBB048194
    • NSC109525
    • STK50
    • SY109318
    • NC-0215
    • MFCD00017198
    • 1-BENZYLAMINO-CYCLOHEXANECARBOXYLICACIDHYDROCHLORIDE
    • BB 0257593
    • AKOS009047667
    • SB75864
    • EN300-31230
    • NSC117658
    • p-Aminobenzoic acid di-methyl derivative
    • NSC-109525
    • 18358-63-9
    • CS-0094663
    • FT-0628845
    • DTXSID40171445
    • NSC-117658
    • Methyl4-(methylamino)benzoate
    • SCHEMBL697023
    • J-011760
    • 4-methylamino-benzoic acid methylester
    • aniline, 4-methoxycarbonyl-N-methyl-
    • DB-044499
    • STK503896
    • DTXCID4093936
    • MDL： MFCD00017198
    • Inchi： 1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3
    • InChI Key： LLAMGYUWYUMHCH-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=CC(=CC=1)NC)=O
    • BRN： 2803327

Computed Properties

  • Exact Mass: 165.07900
  • Monoisotopic Mass: 165.078979
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.2
  • Topological Polar Surface Area: 38.3

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.125±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 95.5 oC
  • Boiling Point: 277.5±23.0 oC (760 Torr),
  • Flash Point: 121.6±22.6 oC,
  • Refractive Index: 1.562
  • Solubility: Slightly soluble (1.2 g/l) (25 o C),
  • Water Partition Coefficient: It is slightly soluble in water. (1.2 g/L) (25°C insoluble in hexane.
  • PSA: 38.33000
  • LogP: 1.58790
  • Solubility: Uncertain

Methyl 4-(methylamino)benzoate Security Information

  • Hazardous Material transportation number：1672
  • WGK Germany：3
  • Safety Instruction： S26; S36/37/39; S45
  • RTECS：NJ6700000
  • Hazardous Material Identification： F C
  • HazardClass：IRRITANT
  • Risk Phrases：R11; R34
  • Safety Term：S22;S24/25

Methyl 4-(methylamino)benzoate Customs Data

  • HS CODE：2922499990
  • Customs Data：

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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Methyl 4-(methylamino)benzoate Production Method

Production Method 1

Reaction Conditions
1.1 300 - 900 °C
Reference
Synthesis and pyrolysis of two novel pyrrole ester flavor precursors
Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

Production Method 2

Reaction Conditions
1.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ;  1 h, rt
1.2 Catalysts: 4-(Dimethylamino)pyridine ;  24 h, rt
2.1 300 - 900 °C
3.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ;  1 h, rt
3.2 Catalysts: 4-(Dimethylamino)pyridine ;  24 h, rt
4.1 300 - 900 °C
Reference
Synthesis and pyrolysis of two novel pyrrole ester flavor precursors
Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium periodate Solvents: Water ;  10 min, rt
2.1 Reagents: Potassium carbonate Catalysts: Tetrabutylammonium bromide Solvents: Acetonitrile ;  17 h, 65 °C
3.1 Reagents: Sodium borohydride Solvents: Methanol ;  20 min, 0 °C
3.2 Reagents: Sodium chloride Solvents: Water ;  2 min
4.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ;  1 h, rt
4.2 Catalysts: 4-(Dimethylamino)pyridine ;  24 h, rt
5.1 300 - 900 °C
Reference
Synthesis and pyrolysis of two novel pyrrole ester flavor precursors
Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

Production Method 4

Reaction Conditions
1.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ;  1 h, rt
1.2 Catalysts: 4-(Dimethylamino)pyridine ;  24 h, rt
2.1 300 - 900 °C
Reference
Synthesis and pyrolysis of two novel pyrrole ester flavor precursors
Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Methanol ;  20 min, 0 °C
1.2 Reagents: Sodium chloride Solvents: Water ;  2 min
2.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ;  1 h, rt
2.2 Catalysts: 4-(Dimethylamino)pyridine ;  24 h, rt
3.1 300 - 900 °C
Reference
Synthesis and pyrolysis of two novel pyrrole ester flavor precursors
Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

Production Method 6

Reaction Conditions
1.1 300 - 900 °C
2.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ;  1 h, rt
2.2 Catalysts: 4-(Dimethylamino)pyridine ;  24 h, rt
3.1 300 - 900 °C
Reference
Synthesis and pyrolysis of two novel pyrrole ester flavor precursors
Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

Production Method 7

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tetrabutylammonium bromide Solvents: Acetonitrile ;  17 h, 65 °C
2.1 Reagents: Sodium borohydride Solvents: Methanol ;  20 min, 0 °C
2.2 Reagents: Sodium chloride Solvents: Water ;  2 min
3.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ;  1 h, rt
3.2 Catalysts: 4-(Dimethylamino)pyridine ;  24 h, rt
4.1 300 - 900 °C
Reference
Synthesis and pyrolysis of two novel pyrrole ester flavor precursors
Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Water ;  24 h, rt
2.1 Reagents: Sodium periodate Solvents: Water ;  10 min, rt
3.1 Reagents: Potassium carbonate Catalysts: Tetrabutylammonium bromide Solvents: Acetonitrile ;  17 h, 65 °C
4.1 Reagents: Sodium borohydride Solvents: Methanol ;  20 min, 0 °C
4.2 Reagents: Sodium chloride Solvents: Water ;  2 min
5.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Solvents: Dichloromethane ;  1 h, rt
5.2 Catalysts: 4-(Dimethylamino)pyridine ;  24 h, rt
6.1 300 - 900 °C
Reference
Synthesis and pyrolysis of two novel pyrrole ester flavor precursors
Fan, Wenpeng ; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1397-1406

Methyl 4-(methylamino)benzoate Raw materials

Methyl 4-(methylamino)benzoate Preparation Products

Methyl 4-(methylamino)benzoate Suppliers

Amadis Chemical Company Limited
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(CAS:18358-63-9)Methyl 4-(methylamino)benzoate
Order Number:A812798
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:58
Price ($):228.0

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Additional information on Methyl 4-(methylamino)benzoate

Methyl 4-(methylamino)benzoate (CAS No. 18358-63-9): A Comprehensive Overview

Methyl 4-(methylamino)benzoate, also known by its CAS registry number CAS No. 18358-63-9, is a chemical compound that has garnered significant attention in various fields due to its unique properties and versatile applications. This compound, which belongs to the class of benzoic acid esters, is characterized by its methyl group attached to the amino moiety at the para position of the benzoate ring. Its chemical structure, methylamino benzoate, plays a pivotal role in determining its reactivity and functionality.

Recent studies have highlighted the potential of Methyl 4-(methylamino)benzoate in drug discovery and development. Researchers have explored its role as a precursor in synthesizing bioactive molecules, particularly in the realm of anti-cancer agents. The compound's ability to act as a building block for more complex structures has made it invaluable in medicinal chemistry. For instance, its derivatives have shown promising results in inhibiting specific enzymes associated with tumor growth, thereby paving the way for novel therapeutic interventions.

In addition to its pharmaceutical applications, Methyl 4-(methylamino)benzoate has found utility in the field of materials science. Its unique electronic properties make it a candidate for use in organic electronics, such as semiconductors and light-emitting diodes (LEDs). Recent advancements in nanotechnology have further expanded its potential, with researchers investigating its role in creating self-assembled monolayers and nanostructured surfaces.

The synthesis of Methyl 4-(methylamino)benzoate involves a multi-step process that typically begins with the preparation of the corresponding benzoic acid derivative. The introduction of the methylamino group at the para position is achieved through nucleophilic substitution or coupling reactions, depending on the specific conditions employed. Optimization of reaction conditions has been a focal point of recent studies, with chemists aiming to enhance yield and purity while minimizing environmental impact.

From an environmental standpoint, understanding the fate and transport of Methyl 4-(methylamino)benzoate in natural systems is crucial. Studies have shown that this compound exhibits moderate biodegradability under aerobic conditions, making it less persistent in aquatic environments compared to other synthetic chemicals. However, further research is needed to assess its long-term effects on aquatic ecosystems and identify potential mitigation strategies.

Looking ahead, the future of Methyl 4-(methylamino)benzoate appears promising as researchers continue to unlock its full potential across diverse disciplines. Its role as a key intermediate in chemical synthesis, coupled with its emerging applications in materials science and pharmacology, positions it as an essential compound in modern chemistry.

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Amadis Chemical Company Limited
(CAS:18358-63-9)Methyl 4-(methylamino)benzoate
A812798
Purity:99%
Quantity:100g
Price ($):228.0
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