Home Cart 0 Sign in  

[ CAS No. 1283095-48-6 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1283095-48-6
Chemical Structure| 1283095-48-6
Structure of 1283095-48-6 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1283095-48-6 ]

Related Doc. of [ 1283095-48-6 ]

SDS

Product Details of [ 1283095-48-6 ]

CAS No. :1283095-48-6MDL No. :MFCD22372746
Formula : C16H23NO3S Boiling Point : 430.2±45.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :309.42Pubchem ID :52951550
Synonyms :

Computed Properties of [ 1283095-48-6 ]

TPSA : 67 H-Bond Acceptor Count : 4
XLogP3 : 2.6 H-Bond Donor Count : 0
SP3 : 0.69 Rotatable Bond Count : 2

Safety of [ 1283095-48-6 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1283095-48-6 ]

  • Upstream synthesis route of [ 1283095-48-6 ]
  • Downstream synthetic route of [ 1283095-48-6 ]

[ 1283095-48-6 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 24424-99-5 ]
  • [ 1283095-47-5 ]
  • [ 1283095-48-6 ]
YieldReaction ConditionsOperation in experiment
99% at 22℃; PREPARATION 2tert-Butyl spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate; Spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (60 g, 286.6 mmol) in 2-methyltetrahydrofuran (600 mL) is stirred at 22° C. for 10 min. Then, tert-butoxycarbonyl tert-butyl carbonate (65.6 g, 301 mmol) in 2-methyltetrahydrofuran (300 mL) is added dropwise. After 12 hr., an aqueous solution of sodium chloride (250 mL) is added and the organic layer is separated. The aqueous layer is washed twice with 2-methyltetrahydrofuran (2.x.50 mL) and the organic layers are combined and washed with brine, dried over sodium sulfate, filtered, and concentrated under reduced pressure to give the title compound in 99percent yield. MS (m/z): 310 (M+1).
99% for 12.00 h; Spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (60 g, 286.6 mmol) in 2- methyltetrahydrofuran (600 mL) is stirred at 22°C for 10 min. Then, tert- butoxycarbonyl tert-butyl carbonate (65.6 g, 301 mmol) in 2-methyltetrahydrofuran (300 mL) is added dropwise. After 12 hours, aqueous solution of sodium chloride (250 mL) is added and the organic layer separated. Then aqueous layer is washed twice with 2-methyltetrahydrofuran (2 x 50 mL) and the organic layers are combined and washed with brine, dried over sodium sulfate, filtered, and concentrated under reduced pressure to give the title compound in 99percent yield. MS (m/z): 310 (M+l).
Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 8, p. 2687 - 2700
[2] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575
[3] Patent: US2011/118251, 2011, A1. Location in patent: Page/Page column 6
[4] Patent: WO2011/60217, 2011, A1. Location in patent: Page/Page column 12-13
  • 2
  • [ 13781-67-4 ]
  • [ 1283095-48-6 ]
Reference: [1] Patent: US2011/118251, 2011, A1
[2] Journal of Medicinal Chemistry, 2011, vol. 54, # 8, p. 2687 - 2700
[3] Patent: WO2011/60217, 2011, A1
[4] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575
[5] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575
  • 3
  • [ 1307248-40-3 ]
  • [ 1283095-48-6 ]
Reference: [1] Patent: US2011/118251, 2011, A1
[2] Patent: WO2011/60217, 2011, A1
  • 4
  • [ 6964-21-2 ]
  • [ 1283095-48-6 ]
Reference: [1] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575
[2] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575
  • 5
  • [ 41979-39-9 ]
  • [ 1283095-48-6 ]
Reference: [1] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575
Historical Records

Related Functional Groups of
[ 1283095-48-6 ]

Amides

Chemical Structure| 165947-52-4

[ 165947-52-4 ]

tert-Butyl 4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate

Similarity: 0.71

Chemical Structure| 230301-73-2

[ 230301-73-2 ]

tert-Butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

Similarity: 0.70

Chemical Structure| 203663-30-3

[ 203663-30-3 ]

tert-Butyl 2-formyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate

Similarity: 0.69

Chemical Structure| 173943-92-5

[ 173943-92-5 ]

Ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate

Similarity: 0.66

Chemical Structure| 193537-14-3

[ 193537-14-3 ]

Ethyl 6-Boc-2-amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3-carboxylate

Similarity: 0.64

Related Parent Nucleus of
[ 1283095-48-6 ]

Other Aromatic Heterocycles

Chemical Structure| 165947-52-4

[ 165947-52-4 ]

tert-Butyl 4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate

Similarity: 0.71

Chemical Structure| 230301-73-2

[ 230301-73-2 ]

tert-Butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

Similarity: 0.70

Chemical Structure| 203663-30-3

[ 203663-30-3 ]

tert-Butyl 2-formyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate

Similarity: 0.69

Chemical Structure| 193537-14-3

[ 193537-14-3 ]

Ethyl 6-Boc-2-amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3-carboxylate

Similarity: 0.64

Chemical Structure| 949922-62-7

[ 949922-62-7 ]

tert-Butyl 2-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

Similarity: 0.63

Piperidines

Chemical Structure| 173943-92-5

[ 173943-92-5 ]

Ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate

Similarity: 0.66

Chemical Structure| 952681-82-2

[ 952681-82-2 ]

2-(1'-(tert-Butoxycarbonyl)spiro[chroman-2,4'-piperidine]-4-yl)acetic acid

Similarity: 0.63

Chemical Structure| 333954-86-2

[ 333954-86-2 ]

tert-Butyl 4-(4-cyanophenoxy)piperidine-1-carboxylate

Similarity: 0.62

Chemical Structure| 1000931-04-3

[ 1000931-04-3 ]

1-Boc-3-Hydroxy-4-phenylpiperidine

Similarity: 0.62

Chemical Structure| 95798-23-5

[ 95798-23-5 ]

Benzyl 4-hydroxypiperidine-1-carboxylate

Similarity: 0.62

Spiroes

Chemical Structure| 952681-82-2

[ 952681-82-2 ]

2-(1'-(tert-Butoxycarbonyl)spiro[chroman-2,4'-piperidine]-4-yl)acetic acid

Similarity: 0.63

Chemical Structure| 84060-08-2

[ 84060-08-2 ]

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

Similarity: 0.60

Chemical Structure| 1251015-16-3

[ 1251015-16-3 ]

tert-Butyl 5-bromo-2H-spiro[benzofuran-3,4'-piperidine]-1'-carboxylate

Similarity: 0.59

Chemical Structure| 889139-52-0

[ 889139-52-0 ]

tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate hydrochloride

Similarity: 0.58

Chemical Structure| 849106-20-3

[ 849106-20-3 ]

tert-Butyl 5-chloro-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate

Similarity: 0.58