Structure
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tert-Butyl thiophen-2-ylcarbamate

Structure
tert-Butyl thiophen-2-ylcarbamate Structure
tert-Butyl thiophen-2-ylcarbamate
  • CAS No.56267-50-6
  • Chemical Name:tert-Butyl thiophen-2-ylcarbamate
  • CBNumber:CB8784339
  • Molecular Formula:C9H13NO2S
  • Formula Weight:199.27
  • MOL File:56267-50-6.mol
tert-Butyl thiophen-2-ylcarbamate Property
  • Melting point 151 °C
  • Boiling point 238.1±13.0 °C(Predicted)
  • Density 1.186±0.06 g/cm3(Predicted)
  • storage temp. 2-8°C(protect from light)
  • form solid
  • pka 13.63±0.70(Predicted)
  • color Pale grey
  • InChI InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-5-4-6-13-7/h4-6H,1-3H3,(H,10,11)
  • InChIKey QTXXTRMGTVEBIN-UHFFFAOYSA-N
  • SMILES C(OC(C)(C)C)(=O)NC1SC=CC=1
Safety
  • Hazard Codes  :Xn
  • Risk Statements  :22
  • HS Code  :2934999090
Hazard and Precautionary Statements (GHS)
  • Symbol(GHS)
  • Signal wordWarning
  • Hazard statements H302+H312+H332-H315-H319
  • Precautionary statements P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312

tert-Butyl thiophen-2-ylcarbamate Chemical Properties,Usage,Production

  • Structure Tert-butyl thiophen-2-ylcarbamate, C9H13NO2S, is a precursor in synthesising diimine ligands suitable for metal complex formation. This compound exhibits intramolecular methyl C7—H···O1 and C8—H···O1 interactions [2.938 (4) and 3.109 (4), respectively] in addition to bulky tert -butyl groups. These two features in tandem allow the packing in the crystal to be nearly perpendicular [the angle between adjacent thiophene rings = 74.83 (7)°]. An intermolecular N1—H···O1i hydrogen bond gives a one-dimensional chain which extends along [0 0 1]. TERT-BUTYL N-(2-THIENYL)CARBAMATE
  • Chemical Properties White to off-white crystalline powder
  • Synthesis To a solution of thiophenecarboxylic acid (0.5 g, 3.90 mmol) in tBuOH (10 ml) was added Et3N (0.571 ml, 4.10 mmol) and DPPA (0.883 ml, 4.10 mmol). The solution was heated at 90 °C for 4 hours. The reaction mixture was cooled to RT, and the solvent was removed from the vacuum. The residue was treated with benzene, and the solution was washed with 5 per cent citric acid and NaHCO3. Solid was filtered off, and the filtrate was washed with brine. The organic layer was dried (MgSO4), concentrated in vacuo and the residue was purified by silica gel column chromatography (EtOAc/hexanes) to obtain tert-butyl thiophen-2-ylcarbamate (0.39 g, 50percent yield). 1H NMR (400 MHz, DMSO-d6): δ 10.4 (brs, 1H), 6.84 (dd, J = 1.6, and 5.2 Hz, 1H), 6.75 (dd, J = 4.0, and 5.6 Hz, 1H), 6.48 (dd, J= 1.6, and 4.0 Hz, 2H), 1.45 (s, 9H); MS (ESI) m/z: 222.0 (M+22+H+).
tert-Butyl thiophen-2-ylcarbamate Preparation Products And Raw materials
Raw materials
Preparation Products
tert-Butyl thiophen-2-ylcarbamate Suppliers
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tert-Butyl thiophen-2-ylcarbamate Spectrum
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  • TERT-BUTYL N-(2-THIENYL)CARBAMATE ISO 9001：2015 REACH
  • 2-Aminothiophene, N-BOC protected
  • tert-ButylN-(2-thienyl)carbamate≥ 96% (NMR)
  • 2-(N-Boc-amino)thiophene
  • 2-(N-tert-Butoxycarbonylamino)thiophene
  • NSC 263609
  • tert-Butyl (thien-2-yl)carbamate, 2-[(tert-Butoxycarbonyl)amino]thiophene
  • 2-Aminothiophene, 2-BOC protected
  • tert-Butyl thien-2-ylcarbamate
  • CarbaMic acid, N-2-thienyl-, 1,1-diMethylethyl ester
  • tert-Butyl thiophen-2-ylcarbaMate
  • AKOS 92405
  • BUTTPARK 97\57-48
  • THIOPHEN-2-YL-CARBAMIC ACID TERT-BUTYL ESTER
  • TERT-BUTYL 2-THIENYLCARBAMATE
  • TERT-BUTYL N-(2-THIENYL)CARBAMATE

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