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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 1207254-23-6 Chemical Structure| 1207254-23-6

Structure of 1207254-23-6

Chemical Structure| 1207254-23-6

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Product Details of [ 1207254-23-6 ]

CAS No. :1207254-23-6
Formula : C6H13NO2
M.W : 131.17
SMILES Code : OCC1OCCCNC1
MDL No. :MFCD18071030

Safety of [ 1207254-23-6 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8
UN#:2735
Packing Group:

Application In Synthesis of [ 1207254-23-6 ]

* 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.

  • Upstream synthesis route of [ 1207254-23-6 ]

[ 1207254-23-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 24424-99-5 ]
  • [ 1207254-23-6 ]
  • [ 1174020-52-0 ]
YieldReaction ConditionsOperation in experiment
82.6%
Stage #1: With triethylamine In dichloromethane at 0 - 20℃;
Stage #2: With sodium hydrogencarbonate In dichloromethane; water
Step-4:
2-Hydroxymethyl-[1,4]oxazepane-4-carboxylic acid tert-butyl ester
To a solution of [1,4]Oxazepan-2-yl-methanol (550 mg, 4.2 mmol) in DCM was added triethylamine (1.2 ml, 8.4 mmol) and (BOC)2O (1.1 eq, 1 ml, 4.61 mmol) at 0° C. was added and stirred the solution at room temperature for overnight.
It was quenched by aq. NaHCO3 solution and extracted with ethyl acetate.
The organic layer was then washed with water and brine.
Then it was dried over Na2SO4 and concentrated to produce (800 mg, 82.6percent) of 2-Hydroxymethyl-[1,4]oxazepane-4-carboxylic acid tert-butyl ester. 1H NMR (400 MHz, DMSO-d6): 4.68 (m, 1H), 3.95 (m, 1H), 3.70 (m, 1H), 3.54-2.98 (m, 6H), 1.74 (m, 2H), 1.46 (m, 1H), 1.39 (s, 4H).
References: [1] Patent: US2010/168080, 2010, A1, . Location in patent: Page/Page column 89.
[2] Journal of Medicinal Chemistry, 2017, vol. 60, # 6, p. 2227 - 2244.
 

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