Home Cart 0 Sign in  

[ CAS No. 1038866-44-2 ]

{[proInfo.proName]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1038866-44-2
Chemical Structure| 1038866-44-2
Structure of 1038866-44-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1038866-44-2 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 1038866-44-2 ]

SDS

Product Details of [ 1038866-44-2 ]

CAS No. :1038866-44-2MDL No. :MFCD21608029
Formula :C11H14ClN3O2Boiling Point :834.9°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :255.70Pubchem ID :66687106
Synonyms :

Computed Properties of [ 1038866-44-2 ]

TPSA : 63.2 H-Bond Acceptor Count : 4
XLogP3 : - H-Bond Donor Count : 3
SP3 : 0.45 Rotatable Bond Count : 0

Safety of [ 1038866-44-2 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305 P351 P338UN#:N/A
Hazard Statements:H317-H319Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1038866-44-2 ]

  • Upstream synthesis route of [ 1038866-44-2 ]
  • Downstream synthetic route of [ 1038866-44-2 ]

[ 1038866-44-2 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 883984-95-0 ]
  • [ 1038866-44-2 ]
YieldReaction ConditionsOperation in experiment
50% With hydrogen In ethanol at 20℃; for 9.00 h; Step 3:
spiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazin]-2'(1'H)-one hydrochloride
16.4 g (42.4 mmol) benzyl 7'-chloro-2'-oxo-1'.2'-dihydrospiro[piperidine-4,4'-pyrido[2,3d][1,3]oxazine]-1-carboxylate and 2.00 g palladium(Pd/C 10percent) in 500 mL EtOH were hydrogenated in a hydrogen atmosphere for 6 h at RT.
Then another 1.0 g palladium (Pd/C 10percent) were added the mixture was hydrogenated for a further 3 h at RT in a hydrogen atmosphere.
After filtration of the reaction mixture the solvent was eliminated in vacuo.
The residue was triturated with EtOH, the precipitate formed was suction filtered, washed with EtOH and dried.
Yield: 5.40 g (50percent of theoretical)
ESI-MS: m/z=220 (M+H)+
Rt(HPLC): 0.90 min (method C)
50% With hydrogen In ethanol at 20℃; for 9.00 h; Step 3: spiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazin]-2'(1'H)-one hydrochloride 16.40 g (0.04 mol) benzyl 7'-chloro-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3d]-[1,3]oxazine]-1-carboxylate and 2.00 g palladium(Pd/C 10percent) in 500 mL EtOH were hydrogenated for 6 h at RT in a hydrogen atmosphere. Then 1 g of palladium (Pd/C 10percent) were additionally added and the mixture was hydrogenated for a further 3 h at RT in a hydrogen atmosphere. After filtration of the reaction mixture the solvent was eliminated in vacuo. The residue was triturated with EtOH, the precipitate formed was suction filtered, washed with EtOH and dried in the drying cupboard for 3 h at 50° C.Yield: 5.40 g (50percent of theoretical)ESI-MS: m/z=220 (M+H)+ Rt(HPLC): 0.90 min (method C)
Reference: [1] Patent: US2011/21500, 2011, A1. Location in patent: Page/Page column 46
[2] Patent: US2012/149698, 2012, A1. Location in patent: Page/Page column 26
  • 2
  • [ 45644-21-1 ]
  • [ 1038866-44-2 ]
Reference: [1] Patent: US2012/149698, 2012, A1
Historical Records

Related Functional Groups of
[ 1038866-44-2 ]

Amides

Chemical Structure| 883984-95-0

[ 883984-95-0 ]

Benzyl 7'-chloro-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxylate

Similarity: 0.89

Chemical Structure| 138343-75-6

[ 138343-75-6 ]

2-(N-Boc-Amino)-3-methylpyridine

Similarity: 0.80

Chemical Structure| 169280-83-5

[ 169280-83-5 ]

tert-Butyl (5-(hydroxymethyl)pyridin-2-yl)carbamate

Similarity: 0.76

Chemical Structure| 748812-61-5

[ 748812-61-5 ]

tert-Butyl (5-bromo-3-methylpyridin-2-yl)carbamate

Similarity: 0.76

Chemical Structure| 1180002-01-0

[ 1180002-01-0 ]

(2-(Methylamino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

Similarity: 0.75

Related Parent Nucleus of
[ 1038866-44-2 ]

Other Aromatic Heterocycles

Chemical Structure| 883984-95-0

[ 883984-95-0 ]

Benzyl 7'-chloro-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxylate

Similarity: 0.89

Chemical Structure| 144657-66-9

[ 144657-66-9 ]

tert-Butyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Similarity: 0.70

Chemical Structure| 85732-37-2

[ 85732-37-2 ]

Spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride

Similarity: 0.68

Chemical Structure| 1111638-14-2

[ 1111638-14-2 ]

(1-(tert-Butoxycarbonyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)boronic acid

Similarity: 0.68

Chemical Structure| 1228014-35-4

[ 1228014-35-4 ]

tert-Butyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Similarity: 0.67

Piperidines

Chemical Structure| 883984-95-0

[ 883984-95-0 ]

Benzyl 7'-chloro-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxylate

Similarity: 0.89

Chemical Structure| 85732-37-2

[ 85732-37-2 ]

Spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride

Similarity: 0.68

Chemical Structure| 1198408-35-3

[ 1198408-35-3 ]

tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate

Similarity: 0.67

Chemical Structure| 848500-12-9

[ 848500-12-9 ]

tert-Butyl (1-(6-bromopyridin-2-yl)piperidin-4-yl)carbamate

Similarity: 0.64

Chemical Structure| 84060-08-2

[ 84060-08-2 ]

1'-Boc-1,2-dihydro-2-oxo-spiro[4H-3,1-benzoxazine-4,4'-piperidine]

Similarity: 0.64

Spiroes

Chemical Structure| 883984-95-0

[ 883984-95-0 ]

Benzyl 7'-chloro-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxylate

Similarity: 0.89

Chemical Structure| 85732-37-2

[ 85732-37-2 ]

Spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride

Similarity: 0.68

Chemical Structure| 84060-08-2

[ 84060-08-2 ]

1'-Boc-1,2-dihydro-2-oxo-spiro[4H-3,1-benzoxazine-4,4'-piperidine]

Similarity: 0.64

Chemical Structure| 92926-60-8

[ 92926-60-8 ]

6-Bromospiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one

Similarity: 0.63

Chemical Structure| 753440-87-8

[ 753440-87-8 ]

Spiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazin]-2'(1'H)-one

Similarity: 0.63