Cas no 5176-27-2 (Pyrrole-1-carboxylic Acid tert-Butyl Ester)

Pyrrole-1-carboxylic Acid tert-Butyl Ester structure
5176-27-2 structure
Product Name:Pyrrole-1-carboxylic Acid tert-Butyl Ester
CAS No:5176-27-2
MF:C9H13NO2
MW:167.205022573471
MDL:MFCD00209559
CID:366546
PubChem ID:24866669
Update Time:2025-04-19

Pyrrole-1-carboxylic Acid tert-Butyl Ester Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 1H-pyrrole-1-carboxylate
    • 1H-Pyrrole-1-carboxylicacid, 1,1-dimethylethyl ester
    • N-Boc-pyrrole
    • N-T-BOC PYRROLE
    • N-tert-Butoxycarbonyl-1H-pyrrole
    • Pyrrole-1-carboxylic Acid tert-Butyl Ester
    • t-Butyl 1H-pyrrole-1-carboxylate
    • tert-butyl pyrrole-1-carboxylate
    • tert-Butyl 1-pyrrolecarboxylate
    • 1-t-butoxycarbonylpyrrole
    • 1H-pyrrole-1-carboxylic acid, 1,1-dimethylethyl ester
    • SB63887
    • 1-Boc-pyrrole
    • N-tert-butoxycarbonyl pyrrole
    • t-butyl pyrrole-1-carboxylate
    • CS-D0903
    • InChI=1/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H
    • IZPYBIJFRFWRPR-UHFFFAOYSA-N
    • A828761
    • EN300-90647
    • SCHEMBL421871
    • DTXSID30349196
    • N-Boc-pyrrole, 98%
    • N-tert-butoxycarbonylpyrrole
    • 1-(t-butoxycarbonyl)pyrrole
    • 5176-27-2
    • N-(tert-butyloxycarbonyl)-1H-pyrrole
    • 1-Boc pyrrole
    • 1-pyrrolecarboxylic acid tert-butyl ester
    • AS-62134
    • N-(tert-butyloxycarbonyl)pyrrole
    • SY024862
    • FT-0686440
    • AM87025
    • MFCD00209559
    • AKOS015841294
    • doi:10.14272/IZPYBIJFRFWRPR-UHFFFAOYSA-N.1
    • DB-013342
    • N-T-BOC-PYRROLE
    • MDL： MFCD00209559
    • Inchi： 1S/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H3
    • InChI Key： IZPYBIJFRFWRPR-UHFFFAOYSA-N
    • SMILES： O(C(N1C=CC=C1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 167.09500
  • Monoisotopic Mass: 167.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 166
  • 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: 1.9
  • Topological Polar Surface Area: 31.2A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 1?g/mL?at 25?°C(lit.)
  • Boiling Point: 91-92?°C/20?mmHg(lit.)
  • Flash Point: Fahrenheit: 167 ° f < br / > Celsius: 75 ° C < br / >
  • Refractive Index: n20/D 1.4685(lit.)
  • PSA: 31.23000
  • LogP: 2.27130
  • Solubility: Not determined

Pyrrole-1-carboxylic Acid tert-Butyl Ester Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305 + P351 + P338
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26
  • Hazardous Material Identification： Xi
  • Storage Condition：Sealed in dry,Room Temperature
  • Risk Phrases：R36/37/38

Pyrrole-1-carboxylic Acid tert-Butyl Ester Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Pyrrole-1-carboxylic Acid tert-Butyl Ester Production Method

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