Cas no 91902-58-8 (4-Ethyl-1-naphthoic acid)

4-Ethyl-1-naphthoic acid structure
4-Ethyl-1-naphthoic acid structure
Product Name:4-Ethyl-1-naphthoic acid
CAS No:91902-58-8
MF:C13H12O2
MW:200.233183860779
MDL:MFCD17169910
CID:812809
PubChem ID:348912
Update Time:2024-10-26

4-Ethyl-1-naphthoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Ethyl-1-naphthoic acid
    • 1-Naphthalenecarboxylicacid, 4-ethyl-
    • 4-ethyl-1-Naphthalene carboxylicacid
    • 4-ethylnaphthalene-1-carboxylic acid
    • NSC 408421
    • 4-Ethyl-1-naphthalenecarboxylic acid
    • 1-Naphthalenecarboxylic acid, 4-ethyl-
    • 4-ethyl-1-Naphthalenecarboxylicacid
    • NSC408421
    • KSC488G2B
    • PLFCGQDMWZGHOQ-UHFFFAOYSA-N
    • BCP02681
    • AB0027662
    • AX8196223
    • W9517
    • ST24029076
    • 1-Naphthoic acid, 4-ethyl- (6CI, 7CI)
    • 4-Ethyl-1-naphthalenecarboxylic acid (ACI)
    • 4-Ethyl-1-naphthoicacid
    • SCHEMBL6323290
    • SY046833
    • MFCD17169910
    • DS-13946
    • NSC-408421
    • CS-0030380
    • AKOS015899591
    • AC-24375
    • DTXSID70325055
    • 4-Ethyl-1-naphthalenecarboxylic Acid; NSC 408421
    • 91902-58-8
    • MDL: MFCD17169910
    • Inchi: 1S/C13H12O2/c1-2-9-7-8-12(13(14)15)11-6-4-3-5-10(9)11/h3-8H,2H2,1H3,(H,14,15)
    • InChI Key: PLFCGQDMWZGHOQ-UHFFFAOYSA-N
    • SMILES: O=C(C1C2C(=CC=CC=2)C(CC)=CC=1)O

Computed Properties

  • Exact Mass: 200.08400
  • Monoisotopic Mass: 200.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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
  • XLogP3: 3.9
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Density: 1.185
  • Boiling Point: 379.3℃/760mmHg
  • Flash Point: 173.2°C
  • Refractive Index: 1.636
  • PSA: 37.30000
  • LogP: 3.10040

4-Ethyl-1-naphthoic acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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4-Ethyl-1-naphthoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Chlorosulfonic acid Solvents: Chloroform ;  1 - 2 min, 0 °C
Reference
Regioselective synthesis of alkylarenes by two-step ipso-substitution of aromatic dicarboxylic acids
Bramborg, Andrea; Linker, Torsten, European Journal of Organic Chemistry, 2012, 2012(28), 5552-5563

Production Method 2

Reaction Conditions
1.1 Reagents: Carbon dioxide ,  Magnesium
Reference
Stereochemistry of metal ammonia ring reduction of aryl carboxylates and ketones and NMR conformational analysis of the dihydro aromatic products
Rabideau, Peter W.; Day, Lisa M.; Husted, Cynthia A.; Mooney, Jennifer L.; Wetzel, Donna M., Journal of Organic Chemistry, 1986, 51(10), 1681-6

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Diethylene glycol ;  8 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
Structure-activity relationships for 1-alkyl-3-(1-naphthoyl)indoles at the cannabinoid CB1 and CB2 receptors: steric and electronic effects of naphthoyl substituents. New highly selective CB2 receptor agonists
Huffman, John W.; Zengin, Gulay; Wu, Ming-Jung; Lu, Jianzhong; Hynd, George; et al, Bioorganic & Medicinal Chemistry, 2004, 13(1), 89-112

4-Ethyl-1-naphthoic acid Raw materials

4-Ethyl-1-naphthoic acid Preparation Products

4-Ethyl-1-naphthoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:91902-58-8)4-Ethyl-1-naphthoic acid
Order Number:A24564
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:02
Price ($):443.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:91902-58-8)4-Ethyl-1-naphthoic acid
A24564
Purity:99%
Quantity:100g
Price ($):443.0
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