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Chemical Structure| 628-11-5 Chemical Structure| 628-11-5
Chemical Structure| 628-11-5

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Product Details of 3-Chloropropyl Chloroformate

CAS No. :628-11-5
Formula : C4H6Cl2O2
M.W : 157.00
SMILES Code : O=C(Cl)OCCCCl
MDL No. :MFCD02093717
InChI Key :MTXMEFUEBCFWCY-UHFFFAOYSA-N
Pubchem ID :69399

Safety of 3-Chloropropyl Chloroformate

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H227-H301+H311+H331-H314-H412
Precautionary Statements:P280-P301+P310-P305+P351+P338
Class:6.1(8)
UN#:3277
Packing Group:

Application In Synthesis of 3-Chloropropyl Chloroformate

* 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 [ 628-11-5 ]

[ 628-11-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 36725-28-7 ]
  • [ 628-11-5 ]
  • C15H18ClN3O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In tetrahydrofuran; at 0 - 20℃; for 4h; TP22. To 50 mg of (R)-6-(4-aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)- one (0.25 mmol) dissolved in 2 mL of THF and cooled to 0 C was added triethylamine (51L, 0.37 mmol) and 3-chloropropyl chloroformate (33 mu^, 0.27 mmol). The reaction was stirred while slowly warming to room temperature. After 1 h another 10 mu^ of chloroformate was added, after 3 h the reaction mixture was filtered over Celite and concentrated. The crude material was dissolved in 4 mL of DMF, 102 mg of K2CO3 (0.74 mmol) was added before heating at 60 C for 2.5 h. After cooling, water was added and rinsed several times first with EtOAc and then with 1 :9 MeOH: CH2CI2. The combined organic washes were dried, concentrated, and chromatographed with 0-40% EtOAc in hexane to yield 47 mg of product (66%). NMR (300 MHz, CDC13) delta 9.12 (s, 1H), 7.79 (d, J= 8.8, 2H), 7.41 (d, J= 8.8, 2H), 4.51 - 4.37 (m, 2H), 3.76 (t, J= 6.1, 2H), 3.35 (p, J = 7.3, 1H), 2.71 (dd, J= 6.8, 16.9, 1H), 2.48 (dd, J= 1.0, 17.0, 1H), 2.31 - 2.14 (m, 2H), 1.24 (d, J= 7.4, 3H). 13C MR (75 MHz, CDC13) delta 166.65, 153.11, 152.40, 144.14, 132.52, 126.65, 125.52, 66.9 22.40, 16.12. 288 (M + 1).
 

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