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Chemical Structure| 21691-50-9 Chemical Structure| 21691-50-9

Structure of H-Ala-OtBu
CAS No.: 21691-50-9

Chemical Structure| 21691-50-9

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Product Details of [ 21691-50-9 ]

CAS No. :21691-50-9
Formula : C7H15NO2
M.W : 145.20
SMILES Code : C[C@H](N)C(OC(C)(C)C)=O
MDL No. :MFCD00270591
InChI Key :TZHVYFBSLOMRCU-YFKPBYRVSA-N
Pubchem ID :89016

Safety of [ 21691-50-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 21691-50-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 21691-50-9 ]

[ 21691-50-9 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 21691-50-9 ]
  • [ 50461-74-0 ]
  • [ 82834-14-8 ]
  • (R)-2-((S)-1-Carboxy-ethylamino)-pentanoic acid ethyl ester; hydrochloride [ No CAS ]
  • 2
  • [ 21691-50-9 ]
  • [ 421-52-3 ]
  • tert-butyl (2,2,2-trifluoroethanethioyl)-L-alaninate [ No CAS ]
YieldReaction ConditionsOperation in experiment
56% In chloroform; at 20℃; for 96h; General procedure: Amino acid ester (1.3 mmol) was added to a solution of polyfluoroalkanethioamide (1a,b) (1.0 mmol) in chloroform(10 mL). The reaction mixture was stirred at room temperature for 4 days. Then the solvent was evaporated in vacuo and the crude product was purified by column chromatography on silica gel to give the corresponding polyfluoroalkanethioyl derivative (3a-f). 3.3.1. tert-Butyl (2,2,2-trifluoroethanethioyl)-L-alaninate (3a). It was purified by chromatography on silica gel, eluting with a mixture (9:1) of hexane and ethyl acetate. Yield: 56%. Pale-yellow solid, mp 85-86 C. [alpha]D20 -94 (c = 1, MeOH). Rf = 0.48 (hexane/ethyl acetate 9:1). 1H NMR (CDCl3, d ppm): 1.431.61 (m, 12H, C(CH3)3 + CHCH3), 4.81 (m, 1H, CH), 8.55 (bs, 1H, NH). 19F NMR(CDCl3, d ppm): 71.2 (s, CF3). 13C NMR (CDCl3, d ppm): 16.3 (s, CH3), 28.1 (s, C(CH3)3), 53.9 (s, CH), 83.9 (s, C(CH3)3), 117.3 (q, 1JC,F = 278.7 Hz, CF3), 170.6 (s, CO), 182.4 (q, 2JC,F = 31.1 Hz, C = S). MS, m/z: 256 [M-H]-. Anal. Calcd for C9H14F3NO2S: C, 42.02; H, 5.48; N, 5.44; S, 12.46. Found: C, 42.10; H, 5.52; N, 5.47; S, 12.37.
  • 3
  • [ 21691-50-9 ]
  • [ 91103-47-8 ]
  • Boc-D-Ala-L-Ala-O-t-Bu [ No CAS ]
  • 4
  • [ 21691-50-9 ]
  • [ 47375-34-8 ]
  • Boc-L-Tyr(t-Bu)-L-Ala-O-t-Bu [ No CAS ]
  • 5
  • [ 21691-50-9 ]
  • [ 56762-93-7 ]
  • [ 478647-31-3 ]
  • 6
  • [ 21691-50-9 ]
  • [ 2483-48-9 ]
  • Boc-L-Lys(Boc)-L-Ala-O-t-Bu [ No CAS ]
  • 7
  • [ 21691-50-9 ]
  • [ 2483-51-4 ]
  • [ 13883-50-6 ]
YieldReaction ConditionsOperation in experiment
90% With 2,2':6',2'':6'',2'''-quaterpyridine; pentamethoxy tantalum; at 70℃; for 48h; Amide compounds were produced by reacting an aminoester compound with an amino compound under the respective reaction conditions below in the presence of a Ta(OMe)5 catalyst and a ligand. The yield for each product is indicated below the formula. In the reaction formula below, L-ala represents an L-alanine residue, Val represents an L-valine residue, Leu represents an L-Leucine residue, ILe represents an L-isoleucine residue, Gly represents glycine residue, Phe represents an L-phenylalanine residue, and Thr(OtBu) represents O-(tert butyl) L-threonine residue.
 

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