Cas no 84562-48-1 (4-Dimethylamino-2-methoxybenzaldehyde)

4-Dimethylamino-2-methoxybenzaldehyde structure
84562-48-1 structure
Product Name:4-Dimethylamino-2-methoxybenzaldehyde
CAS No:84562-48-1
MF:C10H13NO2
MW:179.215722799301
MDL:MFCD00151814
CID:90889
PubChem ID:291350
Update Time:2024-10-26

4-Dimethylamino-2-methoxybenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Dimethylamino-2-methoxybenzaldehyde
    • 2-methoxy-4-dimethylaminobenzaldehyde
    • 4-(dimethylamino)-2-methoxybenzaldehyde
    • 2-methoxy-4-(N,N-dimethylamino)benzaldehyde
    • 4-(DIMETHYLAMINO)-O-ANISALDEHYDE
    • 4-dimekthylamino-2-methoxybenzaldehyde
    • 4-Dimethylamino-2-methoxy-benzaldehyd
    • 4-dimethylamino-2-methoxy-benzaldehyde
    • BENZALDEHYDE,4-(DIMETHYLAMINO)-2-METHOXY-
    • NSC 156544
    • 4-(Dimethylamino)-2-methoxybenzaldehyde (ACI)
    • o-Anisaldehyde, 4-dimethylamino- (6CI)
    • D97434
    • SY317423
    • AS-65636
    • 84562-48-1
    • AKOS015850832
    • CS-0009916
    • Benzaldehyde, 4-(dimethylamino)-2-methoxy-
    • NSC-156544
    • DTXSID90303077
    • MFCD00151814
    • A841518
    • SCHEMBL154497
    • 4-(dimethylamino)-2-methoxy-benzaldehyde
    • D-4790
    • NSC156544
    • DB-056806
    • MDL: MFCD00151814
    • Inchi: 1S/C10H13NO2/c1-11(2)9-5-4-8(7-12)10(6-9)13-3/h4-7H,1-3H3
    • InChI Key: HGDRXADJVGVGBC-UHFFFAOYSA-N
    • SMILES: O=CC1C(OC)=CC(N(C)C)=CC=1
    • BRN: 2719181

Computed Properties

  • Exact Mass: 179.09500
  • Monoisotopic Mass: 179.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 170
  • 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: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 29.5A^2

Experimental Properties

  • Color/Form: powder
  • Density: 1.098±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 61-62 oC (ligroine )
  • Boiling Point: 305.9°C at 760 mmHg
  • Flash Point: 138.8°C
  • Refractive Index: 1.576
  • Solubility: Very slightly soluble (0.32 g/l) (25 o C),
  • PSA: 29.54000
  • LogP: 1.57370
  • Sensitiveness: Air Sensitive
  • Solubility: Not determined

4-Dimethylamino-2-methoxybenzaldehyde Security Information

  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

4-Dimethylamino-2-methoxybenzaldehyde Customs Data

  • HS CODE:2922509090
  • Customs Data:

    China Customs Code:

    2922509090

    Overview:

    2922509090. Other amino alcohol phenols\Amino acid phenols and other oxygenated amino compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB. 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:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food

    Summary:

    2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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4-Dimethylamino-2-methoxybenzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  8 h, 23 °C → 50 °C
Reference
Self-immolative hydroxybenzylamine linkers for traceless protein modification
Rose, Douglas A.; et al, Journal of the American Chemical Society, 2022, 144(13), 6050-6058

Production Method 2

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride
Reference
N2-(4-Substituted-2,6-dichlorophenyl)-N1,N1-dimethylformamidines as antihypertensive and diuretic agents
Meyer, Walter E.; et al, Journal of Medicinal Chemistry, 1984, 27(12), 1705-10

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  30 min, rt; rt → 90 °C; 15 h, 90 °C
Reference
Convergent 18F-labeling and evaluation of N-benzyl-phenethylamines as 5-HT2A receptor PET ligands
Petersen, Ida Nymann; et al, Bioorganic & Medicinal Chemistry, 2016, 24(21), 5353-5356

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  8 h, 50 °C
Reference
Effect of phenyl ring substitution on J-aggregate formation ability of novel bisazomethine dyes in vapour-deposited films
Kim, Byung-Soon; et al, Dyes and Pigments, 2011, 90(1), 56-64

Production Method 5

Reaction Conditions
1.1 Reagents: 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone ,  Cesium carbonate ,  Water Solvents: Toluene ;  8 h, 40 °C
Reference
Oxidation-Induced para-Selective Formylation of N,N-Substituted Aniline
Sun, Li; et al, Asian Journal of Organic Chemistry, 2018, 7(8), 1571-1574

Production Method 6

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride Solvents: Dimethylformamide ;  0 °C; 16 h, 80 °C; 80 °C → rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  neutralized, cooled
2.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  8 h, 50 °C
Reference
Effect of phenyl ring substitution on J-aggregate formation ability of novel bisazomethine dyes in vapour-deposited films
Kim, Byung-Soon; et al, Dyes and Pigments, 2011, 90(1), 56-64

4-Dimethylamino-2-methoxybenzaldehyde Raw materials

4-Dimethylamino-2-methoxybenzaldehyde Preparation Products

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