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Chemical Structure| 31127-40-9 Chemical Structure| 31127-40-9

Structure of 31127-40-9

Chemical Structure| 31127-40-9

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Product Details of [ 31127-40-9 ]

CAS No. :31127-40-9
Formula : C9H12ClNO2
M.W : 201.65
SMILES Code : NCC1=CC=C2OCCOC2=C1.[H]Cl
MDL No. :MFCD08445280
InChI Key :GVAPQIGVGPWPIN-UHFFFAOYSA-N
Pubchem ID :22467626

Safety of [ 31127-40-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 31127-40-9 ]

* 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 [ 31127-40-9 ]

[ 31127-40-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 17413-10-4 ]
  • [ 31127-40-9 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; In isopropyl alcohol; at 25 - 30℃;pH 0.25 - 0.75; Example-8Preparation of 2,3-dihydro-benzo[1,4]dioxin-6-yl-methylamine hydrochloride 242.0 g of Methanolic ammonia [as 100% w/w by chemical assay] [Note: as chemical assay: 23.0% w/w, volume 1350.0 ml] and 30.0 g (0.183 mol) of 1,4-benzodioxan-6-carboxaldehyde were charged into a 2.0 L 4 necked round bottom flask, connect to a mechanical stirrer, thermo meter socket and condenser at 20-30 C. Stirred the mass for 20-30 min at 20-30 C. After dissolution is clear. Reaction mass was charged into a 2.0 L hydrogenator kettle at 20-30 C. 30.0 g of Raney Nickel (with Methanol dried) was charged under nitrogen atmosphere. Kettle was fitted to the hydrogenator. Nitrogen atmosphere was removed in Hydrogenator kettle with hydrogen gas by slowly flushing. Hydrogen gas was feeded upto 50-55 psi in hydrogenation kettle under oscillation. Maintained the hydrogen gas pressure (50-55 psi) till the hydrogen gas consumption is stopped. Reaction mass temperature was raised to 40-45 C. After hydrogen gas consumption is stooped at 45-50 C. Reaction mass temperature was cooled to 25-30 C. Maintained the hydrogen gas pressure at 50-55 psi for till the hydrogen gas consumption is stopped (about 90-120 min) Raney nickel was filtered through hyflow bed under nitrogen atmosphere. Raney Nickel was washed with 300.0 ml of methanol under nitrogen atmosphere. Filterate was collected into a flask. Methanol was distilled completely under vacuum at mass temperature not crossing 55 C. Mass temperature was cooled to 40-45 C. and release the vacuum. 50.0 ml of isopropyl alcohol was added. Reaction mass pH was adjusted to 0.5+/-0.25 with IPA HCl. Maintained the mass temperature at 25-30 C. for 60-90 min under stirring. Solid was filtered and solid was washed with 20.0 ml of isopropyl alcohol. Compound was dried under vacuum at 40+/-5 C. Dry compound weight: 31.0 g (yield: 84.1%).Spectral data:FT-IR (K Br) (cm-1): 3447.6, 2977.6, 2870.0, 1594.5, 1506.6, 1474.0, 1285.8, 1077.7, 1051. 735.2, 617.9, 472.0MS: 202.6 [M+1]
 

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