Cas no 836619-77-3 (tert-butyl N-(3-bromo-4-fluorophenyl)carbamate)

tert-butyl N-(3-bromo-4-fluorophenyl)carbamate structure
836619-77-3 structure
Product Name:tert-butyl N-(3-bromo-4-fluorophenyl)carbamate
CAS No:836619-77-3
MF:C11H13BrFNO2
MW:290.128825902939
MDL:MFCD11975628
CID:1056429
PubChem ID:53312481
Update Time:2024-10-26

tert-butyl N-(3-bromo-4-fluorophenyl)carbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl (3-bromo-4-fluorophenyl)carbamate
    • N-Boc-3-bromo-4-fluoroaniline
    • tert-butyl 3-bromo-4-fluorophenylcarbamate
    • tert-butyl N-(3-bromo-4-fluorophenyl)carbamate
    • (3-Bromo-4-fluoro-phenyl)-carbamic acid tert-butyl ester
    • 1,1-Dimethylethyl N-(3-bromo-4-fluorophenyl)carbamate (ACI)
    • Carbamic acid, (3-bromo-4-fluorophenyl)-, 1,1-dimethylethyl ester (9CI)
    • CS-0100361
    • SCHEMBL1440700
    • 836619-77-3
    • XPHQSYXWFLVFDU-UHFFFAOYSA-N
    • AKOS015888285
    • AS-31895
    • DB-075956
    • Z1505716977
    • SY012034
    • Carbamic acid, (3-bromo-4-fluorophenyl)-, 1,1-dimethylethyl ester
    • DTXSID60693417
    • EN300-137435
    • MFCD11975628
    • SB38935
    • MDL： MFCD11975628
    • Inchi： 1S/C11H13BrFNO2/c1-11(2,3)16-10(15)14-7-4-5-9(13)8(12)6-7/h4-6H,1-3H3,(H,14,15)
    • InChI Key： XPHQSYXWFLVFDU-UHFFFAOYSA-N
    • SMILES： O=C(NC1C=C(Br)C(F)=CC=1)OC(C)(C)C

Computed Properties

  • Exact Mass: 289.01100
  • Monoisotopic Mass: 289.01137g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 255
  • 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: 3.3
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • PSA: 41.82000
  • LogP: 3.94880

tert-butyl N-(3-bromo-4-fluorophenyl)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 N-(3-bromo-4-fluorophenyl)carbamate Pricemore >>

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tert-butyl N-(3-bromo-4-fluorophenyl)carbamate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ,  Water ;  5 min, rt; rt → 0 °C
1.2 2 h, 0 °C; 4 h, 0 °C → rt
Reference
Mild deprotection of the N-tert-butyloxycarbonyl (N-Boc) group using oxalyl chloride
George, Nathaniel; et al, RSC Advances, 2020, 10(40), 24017-24026

tert-butyl N-(3-bromo-4-fluorophenyl)carbamate Raw materials

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