Cas no 871673-24-4 (3-Amino-N-cyclopropylbenzamide)

3-Amino-N-cyclopropylbenzamide structure
871673-24-4 structure
Product Name:3-Amino-N-cyclopropylbenzamide
CAS No:871673-24-4
MF:C10H12N2O
MW:176.215082168579
MDL:MFCD07355824
CID:1025139
PubChem ID:7064053
Update Time:2024-10-26

3-Amino-N-cyclopropylbenzamide Chemical and Physical Properties

Names and Identifiers

    • 3-Amino-N-cyclopropylbenzamide
    • BB_SC-7936
    • 3-Amino-N-cyclopropylbenzamide (ACI)
    • N-Cyclopropyl-3-aminobenzamide
    • Z111875424
    • MFCD07355824
    • BBL030739
    • CS-0456750
    • HMS1758F15
    • 871673-24-4
    • STK899002
    • WJB67324
    • DB-294205
    • VS-10007
    • F78851
    • SCHEMBL3646204
    • DTXSID50427703
    • EN300-15035
    • AKOS000264179
    • MDL: MFCD07355824
    • Inchi: 1S/C10H12N2O/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5,11H2,(H,12,13)
    • InChI Key: XTQFXSVIFJUEAP-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(N)C=CC=1)NC1CC1

Computed Properties

  • Exact Mass: 176.09500
  • Monoisotopic Mass: 176.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 201
  • 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: 0.4
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 58.61000
  • LogP: 2.31700

3-Amino-N-cyclopropylbenzamide Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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3-Amino-N-cyclopropylbenzamide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: 1-Hydroxybenzotriazole ,  Diisopropylethylamine ,  1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Solvents: Dimethylformamide ;  overnight, rt
Reference
Targeting the Kv11.1 (hERG) channel with allosteric modulators. Synthesis and biological evaluation of three novel series of LUF7346 derivatives
van Veldhoven, Jacobus P. D.; et al, European Journal of Medicinal Chemistry, 2021, 212,

Production Method 2

Reaction Conditions
1.1 Reagents: Stannous chloride Solvents: Ethanol ;  2 h, rt → 100 °C
Reference
Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation
Unzue, Andrea; et al, Journal of Medicinal Chemistry, 2014, 57(15), 6834-6844

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ;  24 h, rt
Reference
Discovery and biological evaluation of 4,6-pyrimidine analogues with potential anticancer agents as novel colchicine binding site inhibitors
Zhang, Jifa; et al, European Journal of Medicinal Chemistry, 2023, 248,

Production Method 4

Reaction Conditions
1.1 Reagents: Diisopropylethylamine ,  Propylphosphonic anhydride Solvents: Dichloromethane ,  Ethyl acetate ;  10 min, rt
1.2 overnight, rt
2.1 Reagents: Hydrochloric acid Solvents: Dichloromethane ,  1,4-Dioxane ;  72 h, rt
Reference
Structure-Guided Design and Synthesis of a Pyridazinone Series of Trypanosoma cruzi Proteasome Inhibitors
Thomas, Michael G.; et al, Journal of Medicinal Chemistry, 2023, 66(15), 10413-10431

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Dichloromethane ,  1,4-Dioxane ;  72 h, rt
Reference
Structure-Guided Design and Synthesis of a Pyridazinone Series of Trypanosoma cruzi Proteasome Inhibitors
Thomas, Michael G.; et al, Journal of Medicinal Chemistry, 2023, 66(15), 10413-10431

Production Method 6

Reaction Conditions
1.1 Reagents: 1-Hydroxybenzotriazole ,  Diisopropylethylamine ,  1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Solvents: Dimethylformamide ;  8 h, rt
Reference
Synthesis and bioactivity of novel adamantyl derivatives as potent MDR reversal agents
Naik, Ravi; et al, Bulletin of the Korean Chemical Society, 2011, 32(12), 4444-4446

Production Method 7

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane ;  0 °C; 3 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  rt
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ;  24 h, rt
Reference
Discovery and biological evaluation of 4,6-pyrimidine analogues with potential anticancer agents as novel colchicine binding site inhibitors
Zhang, Jifa; et al, European Journal of Medicinal Chemistry, 2023, 248,

Production Method 8

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane ;  15 h, 25 °C
2.1 Reagents: Stannous chloride Solvents: Ethanol ;  2 h, rt → 100 °C
Reference
Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation
Unzue, Andrea; et al, Journal of Medicinal Chemistry, 2014, 57(15), 6834-6844

3-Amino-N-cyclopropylbenzamide Raw materials

3-Amino-N-cyclopropylbenzamide Preparation Products

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