Home Cart 0 Sign in  
X

[ CAS No. 886365-56-6 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 886365-56-6
Chemical Structure| 886365-56-6
Structure of 886365-56-6 * Storage: {[proInfo.prStorage]}

Quality Control of [ 886365-56-6 ]

Related Doc. of [ 886365-56-6 ]

SDS
Alternatived Products of [ 886365-56-6 ]
Alternatived Products of [ 886365-56-6 ]

Product Details of [ 886365-56-6 ]

CAS No. :886365-56-6 MDL No. :MFCD07375130
Formula : C6H7FN2 Boiling Point : 215.4°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :126.13 g/mol Pubchem ID :45790032
Synonyms :

Safety of [ 886365-56-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 886365-56-6 ]

  • Upstream synthesis route of [ 886365-56-6 ]
  • Downstream synthetic route of [ 886365-56-6 ]

[ 886365-56-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 38186-84-4 ]
  • [ 886365-56-6 ]
YieldReaction ConditionsOperation in experiment
55.2%
Stage #1: With Benzophenone imine; sodium t-butanolate In toluene at 80℃; for 1 h;
Stage #2: With hydrogenchloride; water In tetrahydrofuran at 20℃; for 1.5 h;
Stage #3: With sodium hydrogencarbonate In tetrahydrofuran; water
To a solution of 2-chloro-5-fluoro-3-methylpyridine D38 (0.50 g, 2.82 mmol) in dry toluene (12.5 ml) were added sodium t-butoxyde (0.462 g, 4.81 mmol), Pd2(dba)3 (0.315 g, 0.344 mmol), BINAP (0.642 g, 1.031 mmol) and benzophenone imine (0.692 ml, 4.12 mmol). The resulting mixture was degassed (3.x.pump/N2) and then heated to 80° C. After 1 h stirring, the mixture was cooled down to room temperature, diluted with Et2O (400 ml) and filtered through a celite pad. Volatiles were evaporated, the resulting oil was dissolved in THF (34 ml) and HCl (1.408 ml of a 2 M aqueous solution, 2.82 mmol) was added. The mixture was stirred at room temperature for 1.5 h, then neutralized with a saturated NaHCO3 aqueous solution and diluted with DCM (200 ml). The inorganic layer was back-extracted with DCM (2.x.50 ml). The collected organic layers were dried (Na2SO4), filtered and evaporated. The residue was purified by flash chromatography on silica gel (Biotage SP4 12M, Cy/EtOAc 60/40). Collected fractions gave the title compound D39 (0.20 g, 1.554 mmol, 55.2percent yield from D38, two steps), as an orange solid. MS: (ES/+) m/z: 127 (M+1). C6H7FN2 requires 126.1H NMR (400 MHz, DMSO-d6) δ(ppm): 7.73 (d, 1H), 7.23 (dd, 1H), 5.60 (bs, 2H), 2.04 (s, 3H).
Reference: [1] Patent: US2009/22670, 2009, A1, . Location in patent: Page/Page column 20
[2] Patent: WO2010/72722, 2010, A1, . Location in patent: Page/Page column 27
Historical Records

Related Functional Groups of
[ 886365-56-6 ]

Fluorinated Building Blocks

Chemical Structure| 301222-66-2

[ 301222-66-2 ]

2-Amino-5-fluoro-4-picoline

Similarity: 0.82

Chemical Structure| 868636-72-0

[ 868636-72-0 ]

5-Fluoro-N-methylpyridin-2-amine

Similarity: 0.78

Chemical Structure| 1211537-08-4

[ 1211537-08-4 ]

4,5-Difluoropyridin-2-amine

Similarity: 0.78

Chemical Structure| 1401426-18-3

[ 1401426-18-3 ]

5-Fluoro-2-hydrazinylpyridine dihydrochloride

Similarity: 0.77

Chemical Structure| 1956436-47-7

[ 1956436-47-7 ]

(S)-1-(5-Fluoropyridin-3-yl)ethanamine hydrochloride

Similarity: 0.77

Amines

Chemical Structure| 301222-66-2

[ 301222-66-2 ]

2-Amino-5-fluoro-4-picoline

Similarity: 0.82

Chemical Structure| 868636-72-0

[ 868636-72-0 ]

5-Fluoro-N-methylpyridin-2-amine

Similarity: 0.78

Chemical Structure| 1211537-08-4

[ 1211537-08-4 ]

4,5-Difluoropyridin-2-amine

Similarity: 0.78

Chemical Structure| 1401426-18-3

[ 1401426-18-3 ]

5-Fluoro-2-hydrazinylpyridine dihydrochloride

Similarity: 0.77

Chemical Structure| 1956436-47-7

[ 1956436-47-7 ]

(S)-1-(5-Fluoropyridin-3-yl)ethanamine hydrochloride

Similarity: 0.77

Related Parent Nucleus of
[ 886365-56-6 ]

Pyridines

Chemical Structure| 301222-66-2

[ 301222-66-2 ]

2-Amino-5-fluoro-4-picoline

Similarity: 0.82

Chemical Structure| 868636-72-0

[ 868636-72-0 ]

5-Fluoro-N-methylpyridin-2-amine

Similarity: 0.78

Chemical Structure| 1211537-08-4

[ 1211537-08-4 ]

4,5-Difluoropyridin-2-amine

Similarity: 0.78

Chemical Structure| 1401426-18-3

[ 1401426-18-3 ]

5-Fluoro-2-hydrazinylpyridine dihydrochloride

Similarity: 0.77

Chemical Structure| 1956436-47-7

[ 1956436-47-7 ]

(S)-1-(5-Fluoropyridin-3-yl)ethanamine hydrochloride

Similarity: 0.77