Cas no 829-02-7 (N,N-Dimethyl 4-bromo-2-nitroaniline)

N,N-Dimethyl 4-bromo-2-nitroaniline structure
829-02-7 structure
Product Name:N,N-Dimethyl 4-bromo-2-nitroaniline
CAS No:829-02-7
MF:C8H9BrN2O2
MW:245.073261022568
MDL:MFCD12546467
CID:857120
PubChem ID:11961552
Update Time:2024-10-27

N,N-Dimethyl 4-bromo-2-nitroaniline Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-N,N-dimethyl-2-nitroaniline
    • N,N-Dimethyl 4-bromo-2-nitroaniline
    • 4-Brom-N,N-dimethyl-2-nitro-anilin
    • 4-bromo-2-nitro-N,N-dimethylaniline
    • 4-Bromo-2-nitro-N,N-dimethylbenzeneamine
    • 4-bromo-N,N-dimethyl-2-nitro-aniline
    • N,N-Dimethyl-4-bromo-2-nitroaniline
    • 4-Bromo-N,N-dimethyl-2-nitrobenzenamine (ACI)
    • Aniline, 4-bromo-N,N-dimethyl-2-nitro- (7CI, 8CI)
    • 4-Bromo-2-nitro-N,N-dimethylbenzenamine
    • MFCD12546467
    • 829-02-7
    • CS-0186967
    • DTXSID60474804
    • DB-361224
    • SCHEMBL6506822
    • AKOS010631021
    • Benzenamine, 4-bromo-N,N-dimethyl-2-nitro-
    • 4-Bromo-N pound notN-dimethyl-2-nitroaniline
    • DS-1926
    • N,N-dimethyl4-bromo-2-nitroaniline
    • MDL: MFCD12546467
    • Inchi: 1S/C8H9BrN2O2/c1-10(2)7-4-3-6(9)5-8(7)11(12)13/h3-5H,1-2H3
    • InChI Key: GAHIRXNSTICIBY-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(N(C)C)=CC=C(Br)C=1)=O

Computed Properties

  • Exact Mass: 243.98500
  • Monoisotopic Mass: 243.98474g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 193
  • 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: 2.6
  • Topological Polar Surface Area: 49.1?2

Experimental Properties

  • PSA: 49.06000
  • LogP: 2.94650

N,N-Dimethyl 4-bromo-2-nitroaniline Customs Data

  • HS CODE:2921430090
  • Customs Data:

    China Customs Code:

    2921430090

    Overview:

    2921430090 Toluidine and its derivatives and their salts. 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, Evidence document and number of origin(example Certificate of origin attached, Originating in the European Union

    Summary:

    HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

N,N-Dimethyl 4-bromo-2-nitroaniline Pricemore >>

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N,N-Dimethyl 4-bromo-2-nitroaniline Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium nitrite Solvents: Acetic acid ,  Water ;  10 min, rt; overnight, rt
Reference
Synthesis of functionalized macrocyclic compounds as Na+ and K+ receptors: a mild and high yielding nitration in water of mono and bis 2-methoxyaniline functionalized crown ethers
Gunnlaugsson, Thorfinnur; et al, Journal of the Chemical Society, 2002, (17), 1954-1962

Production Method 2

Reaction Conditions
1.1 Reagents: Copper bromide (CuBr2) Solvents: Acetonitrile
Reference
Alkyl nitrite-metal halide deamination reactions. 7. Synthetic coupling of electrophilic bromination with substitutive deamination for selective synthesis of multiply brominated aromatic compounds from arylamines
Doyle, Michael P.; et al, Journal of Organic Chemistry, 1980, 45(13), 2570-5

Production Method 3

Reaction Conditions
1.1 Reagents: tert-Butyl nitrite ,  Oxygen Solvents: tert-Butanol ;  9 h, 60 °C
Reference
Solvent-controlled chemoselective N-dealkylation-N-nitrosation or C-nitration of N-alkyl anilines with tert-butyl nitrite
Guo, Xuanhua; et al, Organic Chemistry Frontiers, 2019, 6(19), 3401-3407

Production Method 4

Reaction Conditions
1.1 Reagents: tert-Butyl nitrite ,  Oxygen Solvents: Water ;  4 h, rt
Reference
Solvent-controlled chemoselective N-dealkylation-N-nitrosation or C-nitration of N-alkyl anilines with tert-butyl nitrite
Guo, Xuanhua; et al, Organic Chemistry Frontiers, 2019, 6(19), 3401-3407

Production Method 5

Reaction Conditions
1.1 Reagents: Trichloroacetic acid ,  Sodium nitrite Solvents: Chloroform
Reference
Aromatic tertiary amines and butyl nitrite
Verardo, Giancarlo; et al, Tetrahedron, 1990, 46(12), 4303-32

Production Method 6

Reaction Conditions
1.1 Reagents: Triphenylphosphine ,  Bromine ,  Silver nitrate Solvents: Acetonitrile ;  rt; 5 min, rt
Reference
Highly chemoselective nitration of aromatic amines using the Ph3P/Br2/AgNO3 system
Iranpoor, Nasser; et al, Tetrahedron Letters, 2006, 47(38), 6879-6881

Production Method 7

Reaction Conditions
1.1 Reagents: Cesium fluoride Solvents: Dimethylformamide
Reference
Some unexpected products from attempted halogen exchange in 2-nitrohaloaromatic systems
Morgan, S. E.; et al, Tetrahedron Letters, 1978, (48), 4837-8

Production Method 8

Reaction Conditions
1.1 Reagents: tert-Butyl nitrite Catalysts: Tempo Solvents: Acetonitrile ;  0.5 h, rt
Reference
Highly selective sp3 C-N bond activation of tertiary anilines modulated by steric and thermodynamic factors
Jia, Xiaodong; et al, Green Chemistry, 2017, 19(23), 5568-5574

N,N-Dimethyl 4-bromo-2-nitroaniline Raw materials

N,N-Dimethyl 4-bromo-2-nitroaniline Preparation Products

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