Cas no 885270-83-7 (tert-Butyl (2-aminophenyl)(methyl)carbamate)

tert-Butyl (2-aminophenyl)(methyl)carbamate structure
885270-83-7 structure
Product Name:tert-Butyl (2-aminophenyl)(methyl)carbamate
CAS No:885270-83-7
MF:C12H18N2O2
MW:222.283523082733
MDL:MFCD05663971
CID:710757
PubChem ID:53420359
Update Time:2024-10-26

tert-Butyl (2-aminophenyl)(methyl)carbamate Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,N-(2-aminophenyl)-N-methyl-, 1,1-dimethylethyl ester
    • (2-AMINOPHENYL)METHYL-CARBAMIC ACID TERT-BUTYL ESTER,
    • tert-butyl N-(2-aminophenyl)-N-methylcarbamate
    • tert-Butyl (2-aminophenyl)(methyl)carbamate
    • (2-Amino-phenyl)-methyl-carbamic acid tert-butyl ester
    • 1,1-Dimethylethyl N-(2-aminophenyl)-N-methylcarbamate (ACI)
    • CS-0315480
    • tert-Butyl(2-aminophenyl)(methyl)carbamate
    • (2-Amino-phenyl)-methyl-carbamic acid tert-butyl ester, AldrichCPR
    • 885270-83-7
    • (2-Amino-phenyl)-methyl-carbamic acid t-butyl ester
    • SCHEMBL13311040
    • AKOS011272721
    • tert-Butyl (2-aminophenyl)methylcarbamate
    • MFCD05663971
    • DTXSID00697616
    • C78533
    • AB22091
    • MDL： MFCD05663971
    • Inchi： 1S/C12H18N2O2/c1-12(2,3)16-11(15)14(4)10-8-6-5-7-9(10)13/h5-8H,13H2,1-4H3
    • InChI Key： QWLGWHNBBXMGRY-UHFFFAOYSA-N
    • SMILES： O=C(N(C)C1C(N)=CC=CC=1)OC(C)(C)C

Computed Properties

  • Exact Mass: 222.13700
  • Monoisotopic Mass: 222.136827821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 248
  • 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: 2
  • Topological Polar Surface Area: 55.6?2

Experimental Properties

  • PSA: 55.56000
  • LogP: 3.22130

tert-Butyl (2-aminophenyl)(methyl)carbamate 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%

tert-Butyl (2-aminophenyl)(methyl)carbamate Pricemore >>

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tert-Butyl (2-aminophenyl)(methyl)carbamate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium dithionite Solvents: 1,4-Dioxane ,  Water ;  45 min, 100 °C
Reference
Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening
Kilchmann, Falco; et al, Journal of Medicinal Chemistry, 2016, 59(15), 7188-7211

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  30 min, 0 °C
1.2 0 °C; 0 °C → rt; 1.5 h, rt
1.3 Solvents: Water
2.1 Reagents: Sodium dithionite Solvents: 1,4-Dioxane ,  Water ;  45 min, 100 °C
Reference
Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening
Kilchmann, Falco; et al, Journal of Medicinal Chemistry, 2016, 59(15), 7188-7211

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Hydrofluoric acid ;  0 °C; 10 min, 0 °C; 30 min, rt
1.2 Solvents: Tetrahydrofuran ;  1 h, rt
1.3 Solvents: Water ;  cooled
2.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  30 min, 0 °C
2.2 0 °C; 0 °C → rt; 1.5 h, rt
2.3 Solvents: Water
3.1 Reagents: Sodium dithionite Solvents: 1,4-Dioxane ,  Water ;  45 min, 100 °C
Reference
Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening
Kilchmann, Falco; et al, Journal of Medicinal Chemistry, 2016, 59(15), 7188-7211

tert-Butyl (2-aminophenyl)(methyl)carbamate Raw materials

tert-Butyl (2-aminophenyl)(methyl)carbamate Preparation Products

tert-Butyl (2-aminophenyl)(methyl)carbamate Related Literature

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885270-83-7 (tert-Butyl (2-aminophenyl)(methyl)carbamate) Related Products

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