Home Cart 0 Sign in  

[ CAS No. 501907-61-5 ]

{[proInfo.proName]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 501907-61-5
Chemical Structure| 501907-61-5
Structure of 501907-61-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 501907-61-5 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 501907-61-5 ]

SDS

Product Details of [ 501907-61-5 ]

CAS No. :501907-61-5MDL No. :MFCD03070211
Formula :C10H12Cl2N2O2Boiling Point :-
Linear Structure Formula :-InChI Key :N/A
M.W :263.12Pubchem ID :45076485
Synonyms :

Computed Properties of [ 501907-61-5 ]

TPSA : 51.2 H-Bond Acceptor Count : 3
XLogP3 : 3.3 H-Bond Donor Count : 1
SP3 : 0.40 Rotatable Bond Count : 3

Safety of [ 501907-61-5 ]

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

Application In Synthesis of [ 501907-61-5 ]

  • Upstream synthesis route of [ 501907-61-5 ]
  • Downstream synthetic route of [ 501907-61-5 ]

[ 501907-61-5 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 2587-02-2 ]
  • [ 24424-99-5 ]
  • [ 501907-61-5 ]
YieldReaction ConditionsOperation in experiment
93% With dmap In dichloromethane at 20℃; Step 1. To 4-amino-2, 6-dichloropyridine (5.04 g, 30.3 mmol) in DCM (100 mL) at room temperature was added dimethylaminopyridine (0.61 g, 4.99 mmol) and di-ieri-butyl dicarbonate (13.71 g, 60.9 mmol). The mixture was stirred overnight, washed with a saturated aqueous solution of NH4C1 (5 mL) (3 X 30 mL) and brine (40 mL), then dried over Na2S04 and concentrated. The mixture was taken up in THF (30 mL) and water (30 mL) and sodium hydroxide (4.5 g, 112 mmol) added. The mixture was heated at 65°C for 4 hours, cooled to room temperature and extracted with EtOAc (5 X 30 mL). The organics were washed with 1 N HC1 (2 X 30 mL) and water (40 mL), then dried over Na2S04 and concentrated to a solid. The solid was collected on a filter, washed with 1 N HC1 (4 X 10 mL) and water (20 mL), then dried in a vacuum oven at 50°C to provide 7.44 g (93percent) of tert- butyl 2,6-dichloropyridin-4-ylcarbamate as a white solid.
2.04 g With dmap In tetrahydrofuran at 60 - 70℃; for 23.00 h; 15.1. tert-Butyl 2,6-dichloropyridin-4-ylcarbamateA mixture of 2,6-dichloropyridin-4-amine (2.1 g, 12.833 mmol), (Boc)20 (3.09 g, 14. 172 mmol), and DMAP (393.5 mg, 3.221 mmol) in THF (64.4 mL) was heated to60°C to 70°C for 23 h. After cooling down to rt, the mixture was concentrated under reduced pressure. The residue was diluted with EtOAc, washed with saturated NH4C1 solution and dried over Na2SO4. The organic layer was concentrated under reduced pressure, and the residue was purified by column chromatography to afford the desired product (2.04 g) as a white solid.1H NMR (300 MHz, DMSO-d6) (5 10.336 (s, 1H), 7.473 (s, 2H), 1.408 (s, 9H).
Reference: [1] Patent: WO2015/76800, 2015, A1. Location in patent: Page/Page column 292
[2] Tetrahedron Letters, 2006, vol. 47, # 50, p. 8917 - 8920
[3] Journal of Organic Chemistry, 2008, vol. 73, # 15, p. 6025 - 6028
[4] Patent: WO2016/6974, 2016, A2. Location in patent: Paragraph 516; 517; 518; 519; 520; 521; 522
  • 2
  • [ 5398-44-7 ]
  • [ 75-65-0 ]
  • [ 501907-61-5 ]
Reference: [1] Patent: US2011/288065, 2011, A1. Location in patent: Page/Page column 58
[2] Patent: WO2012/97682, 2012, A1. Location in patent: Page/Page column 66-67
[3] Patent: WO2012/97479, 2012, A1. Location in patent: Page/Page column 138
[4] Patent: WO2012/97683, 2012, A1. Location in patent: Page/Page column 73
[5] Patent: US2014/171429, 2014, A1. Location in patent: Paragraph 0313
  • 3
  • [ 75-65-0 ]
  • [ 501907-61-5 ]
Reference: [1] Patent: JP5668756, 2015, B2. Location in patent: Paragraph 0145
  • 4
  • [ 99-11-6 ]
  • [ 501907-61-5 ]
Reference: [1] Patent: WO2012/97479, 2012, A1
[2] Patent: WO2012/97682, 2012, A1
[3] Patent: WO2012/97683, 2012, A1
[4] Patent: US2014/171429, 2014, A1
Historical Records

Related Functional Groups of
[ 501907-61-5 ]

Chlorides

Chemical Structure| 234108-73-7

[ 234108-73-7 ]

tert-Butyl 2-chloropyridine-4-carbamate

Similarity: 0.88

Chemical Structure| 171178-45-3

[ 171178-45-3 ]

tert-Butyl (6-chloropyridin-3-yl)carbamate

Similarity: 0.81

Chemical Structure| 370864-66-7

[ 370864-66-7 ]

tert-Butyl (2-chloro-3-methylpyridin-4-yl)carbamate

Similarity: 0.81

Chemical Structure| 893423-62-6

[ 893423-62-6 ]

tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate

Similarity: 0.76

Chemical Structure| 1227958-32-8

[ 1227958-32-8 ]

tert-Butyl (2-bromo-6-chloropyridin-3-yl)carbamate

Similarity: 0.71

Amines

Chemical Structure| 234108-73-7

[ 234108-73-7 ]

tert-Butyl 2-chloropyridine-4-carbamate

Similarity: 0.88

Chemical Structure| 171178-45-3

[ 171178-45-3 ]

tert-Butyl (6-chloropyridin-3-yl)carbamate

Similarity: 0.81

Chemical Structure| 370864-66-7

[ 370864-66-7 ]

tert-Butyl (2-chloro-3-methylpyridin-4-yl)carbamate

Similarity: 0.81

Chemical Structure| 893423-62-6

[ 893423-62-6 ]

tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate

Similarity: 0.76

Chemical Structure| 98400-69-2

[ 98400-69-2 ]

4-(Boc-Amino)pyridine

Similarity: 0.75

Amides

Chemical Structure| 234108-73-7

[ 234108-73-7 ]

tert-Butyl 2-chloropyridine-4-carbamate

Similarity: 0.88

Chemical Structure| 171178-45-3

[ 171178-45-3 ]

tert-Butyl (6-chloropyridin-3-yl)carbamate

Similarity: 0.81

Chemical Structure| 370864-66-7

[ 370864-66-7 ]

tert-Butyl (2-chloro-3-methylpyridin-4-yl)carbamate

Similarity: 0.81

Chemical Structure| 893423-62-6

[ 893423-62-6 ]

tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate

Similarity: 0.76

Chemical Structure| 98400-69-2

[ 98400-69-2 ]

4-(Boc-Amino)pyridine

Similarity: 0.75

Related Parent Nucleus of
[ 501907-61-5 ]

Pyridines

Chemical Structure| 234108-73-7

[ 234108-73-7 ]

tert-Butyl 2-chloropyridine-4-carbamate

Similarity: 0.88

Chemical Structure| 171178-45-3

[ 171178-45-3 ]

tert-Butyl (6-chloropyridin-3-yl)carbamate

Similarity: 0.81

Chemical Structure| 370864-66-7

[ 370864-66-7 ]

tert-Butyl (2-chloro-3-methylpyridin-4-yl)carbamate

Similarity: 0.81

Chemical Structure| 893423-62-6

[ 893423-62-6 ]

tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate

Similarity: 0.76

Chemical Structure| 98400-69-2

[ 98400-69-2 ]

4-(Boc-Amino)pyridine

Similarity: 0.75