Home Cart 0 Sign in  
X

[ CAS No. 1031929-01-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 1031929-01-7
Chemical Structure| 1031929-01-7
Chemical Structure| 1031929-01-7
Structure of 1031929-01-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 1031929-01-7 ]

Related Doc. of [ 1031929-01-7 ]

Alternatived Products of [ 1031929-01-7 ]
Product Citations

Product Details of [ 1031929-01-7 ]

CAS No. :1031929-01-7 MDL No. :MFCD08061304
Formula : C6H2BrF4N Boiling Point : -
Linear Structure Formula :- InChI Key :HKACHYLUXHBYMO-UHFFFAOYSA-N
M.W : 243.98 Pubchem ID :23053237
Synonyms :

Safety of [ 1031929-01-7 ]

Signal Word:Danger Class:3,6.1
Precautionary Statements:P261-P301+P310-P305+P351+P338 UN#:1992
Hazard Statements:H225-H301-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1031929-01-7 ]

* 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 [ 1031929-01-7 ]

[ 1031929-01-7 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 2780380-45-0 ]
  • [ 1031929-01-7 ]
  • [ 2763647-62-5 ]
YieldReaction ConditionsOperation in experiment
39% In dimethyl sulfoxide at 80℃; for 72h; Inert atmosphere; 1 Step 1: 3-Bromo-2-methylsulfonyl-5-(trifluoromethyl)pyridine To a solution of 3-bromo-2-fluoro-5-(trifluoromethyl)pyridine (0.34 mL, 2.05 mmol, 1.0 equiv; CAS RN 1031929-01-7) in DMSO (2.6 mL) under Ar was added sodium methanethiolate (259 mg, 2.46 mmol, 1.2 equiv; CAS RN 5188-07-8) and the suspension was stirred at 80 °C for 72 h. The reaction mixture was poured on water (15 mL) and ethyl acetate (15 mL) and the layers were separated. The aqueous layer was extracted twice with ethyl acetate (2 x 15 mL). The organic layers were washed with water, dried over MgSO4, filtered, treated with silica gel and evaporated. The crude compound was purified by silica gel chromatography using a MPLC system eluting with a gradient of n-heptane : ethyl acetate (100 : 0 to 0 : 100) to yield the title compound as a colorless solid (260 mg, 38 %). MS (ESI): m/z = 305.9 [M+H]+.
39% In dimethyl sulfoxide at 80℃; for 72h; Inert atmosphere; 1 Step 1: 3-Bromo-2-methylsulfonyl-5-(trifluoromethyl)pyridine To a solution of 3-bromo-2-fluoro-5-(trifluoromethyl)pyridine (0.34 mL, 2.05 mmol, 1.0 equiv; CAS RN 1031929-01-7) in DMSO (2.6 mL) under Ar was added sodium methanethiolate (259 mg, 2.46 mmol, 1.2 equiv; CAS RN 5188-07-8) and the suspension was stirred at 80 °C for 72 h. The reaction mixture was poured on water (15 mL) and ethyl acetate (15 mL) and the layers were separated. The aqueous layer was extracted twice with ethyl acetate (2 x 15 mL). The organic layers were washed with water, dried over MgSO4, filtered, treated with silica gel and evaporated. The crude compound was purified by silica gel chromatography using a MPLC system eluting with a gradient of n-heptane : ethyl acetate (100 : 0 to 0 : 100) to yield the title compound as a colorless solid (260 mg, 38 %). MS (ESI): m/z = 305.9 [M+H]+.
  • 2
  • [ 1031929-01-7 ]
  • [ 2763647-63-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dimethyl sulfoxide / 72 h / 80 °C / Inert atmosphere 2: potassium carbonate; tetrakis-(triphenylphosphine)-palladium / tetrahydrofuran; lithium hydroxide monohydrate / 2.5 h / 80 °C / Inert atmosphere; Sealed tube
  • 3
  • [ 183591-72-2 ]
  • [ 1031929-01-7 ]
  • [ 2820000-82-4 ]
YieldReaction ConditionsOperation in experiment
94 % With triethylamine In acetonitrile at 90℃; Step 1: 2- (4- (Tert-butoxycarbonyl) piperazin-2-yl) acetic acid (6.39g, 28.37mmol, 1.0eq. ) , 3-bromo-2-fluoro-5- (trifluoromethyl) pyridine (11.19g, 45.86mmol, 1.62eq. ) , TEA (17mL) were dispersed in CH 3CN (120 mL) at room temperature. The reaction mixture was stirred for 16hrs at 90?, cooled to room temperature and concentrated under reduced pressure to obtain a residue which was purified with Prep-HPLC (C18 column, eluted with H 2O/CH 3CN) to afford INT B28-1 (12.54g, yield 94%) . LCMS: m/z= 468, 470 [M+1] +.
94 % With triethylamine In acetonitrile at 90℃; Step 1: 2- (4- (Tert-butoxycarbonyl) piperazin-2-yl) acetic acid (6.39g, 28.37mmol, 1.0eq. ) , 3-bromo-2-fluoro-5- (trifluoromethyl) pyridine (11.19g, 45.86mmol, 1.62eq. ) , TEA (17mL) were dispersed in CH 3CN (120 mL) at room temperature. The reaction mixture was stirred for 16hrs at 90?, cooled to room temperature and concentrated under reduced pressure to obtain a residue which was purified with Prep-HPLC (C18 column, eluted with H 2O/CH 3CN) to afford INT B28-1 (12.54g, yield 94%) . LCMS: m/z= 468, 470 [M+1] +.
  • 4
  • [ 1031929-01-7 ]
  • [ 2049013-08-1 ]
  • [ 2820000-69-7 ]
YieldReaction ConditionsOperation in experiment
50 % With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 80℃; Step 2: 3-bromo-2-fluoro-5- (trifluoromethyl) pyridine (19.09g, 78.24mmol, 1.25eq. ) , INT B24-1 (17.10g, 62.56mmol, 1.0eq. ) and DIPEA (9.22g, 71.34mmol, 1.14eq. ) were dispersed in DMF (100mL) at room temperature. The reaction mixture was stirred for 16hrs at 80?, poured into water (100mL) , and extracted with DCM (100mL?3) . The organic layers were combined and concentrated under reduced pressure to obtain a residue which was purified with silica gel column (eluted with Hex/EA) to afford INT B24-2 (15.59g, yield 50%) . LCMS: m/z= 497, 499 [M+1] +.
50 % With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 80℃; Step 2: 3-bromo-2-fluoro-5- (trifluoromethyl) pyridine (19.09g, 78.24mmol, 1.25eq. ) , INT B24-1 (17.10g, 62.56mmol, 1.0eq. ) and DIPEA (9.22g, 71.34mmol, 1.14eq. ) were dispersed in DMF (100mL) at room temperature. The reaction mixture was stirred for 16hrs at 80?, poured into water (100mL) , and extracted with DCM (100mL?3) . The organic layers were combined and concentrated under reduced pressure to obtain a residue which was purified with silica gel column (eluted with Hex/EA) to afford INT B24-2 (15.59g, yield 50%) . LCMS: m/z= 497, 499 [M+1] +.
  • 5
  • [ 1031929-01-7 ]
  • [ 2820000-83-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 16 h / 90 °C 2: HATU; triethylamine / dichloromethane / 3 h / 20 °C
  • 6
  • [ 1031929-01-7 ]
  • [ 2820000-84-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: triethylamine / acetonitrile / 16 h / 90 °C 2: HATU; triethylamine / dichloromethane / 3 h / 20 °C 3: n-butyllithium / tetrahydrofuran / 2.5 h / -78 °C / Inert atmosphere
  • 7
  • [ 1031929-01-7 ]
  • [ 2820000-85-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: triethylamine / acetonitrile / 16 h / 90 °C 2: HATU; triethylamine / dichloromethane / 3 h / 20 °C 3: tetrahydrofuran / 4.5 h / -20 °C / Inert atmosphere
  • 8
  • [ 1031929-01-7 ]
  • [ 2820000-86-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: triethylamine / acetonitrile / 16 h / 90 °C 2: HATU; triethylamine / dichloromethane / 3 h / 20 °C 3: tetrahydrofuran / 4.5 h / -20 °C / Inert atmosphere 4: n-butyllithium / tetrahydrofuran / 1 h / -78 °C / Inert atmosphere
  • 9
  • [ 1031929-01-7 ]
  • [ 2820000-87-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: triethylamine / acetonitrile / 16 h / 90 °C 2: HATU; triethylamine / dichloromethane / 3 h / 20 °C 3: n-butyllithium / tetrahydrofuran / 2.5 h / -78 °C / Inert atmosphere 4: diethylamino-sulfur trifluoride / chloroform / 5 h / 70 °C
  • 10
  • [ 1031929-01-7 ]
  • [ 2820000-88-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: triethylamine / acetonitrile / 16 h / 90 °C 2: HATU; triethylamine / dichloromethane / 3 h / 20 °C 3: n-butyllithium / tetrahydrofuran / 2.5 h / -78 °C / Inert atmosphere 4: sodium tetrahydroborate / tetrahydrofuran / 1 h / 20 °C
  • 11
  • [ 935544-55-1 ]
  • [ 1031929-01-7 ]
  • [ 2851980-10-2 ]
YieldReaction ConditionsOperation in experiment
13 % With palladium diacetate; potassium carbonate; XPhos In N,N-dimethyl-formamide at 100℃; Inert atmosphere; 29.4 The fourth step: 1-benzyl 4-(tert-butyl)-2-(2-(2-hydroxy-5-(trifluoromethyl)pyridin-3-yl)vinyl)piperazine-1,4- Dicarboxylate (Compound 29e) At room temperature, 1-benzyl 4-(tert-butyl) 2-vinylpiperazine-1,4-dicarboxylate (29d) (200 mg, 0.58 mmol) was dissolved in DMF (6 mL), and 3- Bromo-2-fluoro-5-(trifluoromethyl)pyridine (210 mg, 0.87 mmol), K2CO3(240 mg, 1.74 mmol), Xphos (110 mg, 0.23 mmol) and Pd(OAc)2(26 mg, 0.12 mmol).Replaced with nitrogen 3 times, stirred overnight at 100°C, quenched the reaction with water, extracted with ethyl acetate (10mL x 3), combined the organic phase, backwashed the organic phase with saturated brine (10mL x 3), dried over anhydrous sodium sulfate , filtered with suction, and the filtrate was concentrated under reduced pressure to obtain a residue.The residue was separated and purified by silica gel column chromatography (30% EA in PE) to obtain: 1-benzyl 4-(tert-butyl)-2-(2-(2-hydroxyl-5-(trifluoromethyl)pyridine-3 -yl)vinyl)piperazine-1,4-dicarboxylate (compound 29e) (38 mg, 13%) was thrown into 9 pots in parallel to obtain a total of 340 mg.
  • 12
  • [ 1031929-01-7 ]
  • [ 2851980-12-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: palladium diacetate; XPhos; potassium carbonate / N,N-dimethyl-formamide / 100 °C / Inert atmosphere 2: hydrogen; Pd/C / methanol / 20 °C
  • 13
  • [ 1031929-01-7 ]
  • [ 2817668-98-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: palladium diacetate; XPhos; potassium carbonate / N,N-dimethyl-formamide / 100 °C / Inert atmosphere 2: hydrogen; Pd/C / methanol / 20 °C 3: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dimethyl sulfoxide / 60 °C
  • 14
  • [ 1031929-01-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: palladium diacetate; XPhos; potassium carbonate / N,N-dimethyl-formamide / 100 °C / Inert atmosphere 2: hydrogen; Pd/C / methanol / 20 °C 3: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dimethyl sulfoxide / 60 °C 4: hydrogenchloride / 1,4-dioxane / 20 °C
  • 15
  • [ 1031929-01-7 ]
  • [ 2817671-44-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: palladium diacetate; XPhos; potassium carbonate / N,N-dimethyl-formamide / 100 °C / Inert atmosphere 2: hydrogen; Pd/C / methanol / 20 °C 3: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dimethyl sulfoxide / 60 °C 4: hydrogenchloride / 1,4-dioxane / 20 °C 5: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 3 h / 20 °C
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1031929-01-7 ]

Fluorinated Building Blocks

Chemical Structure| 17282-01-8

[ 17282-01-8 ]

3-Bromo-2-fluoro-5-picoline

Similarity: 0.84

Chemical Structure| 1227599-89-4

[ 1227599-89-4 ]

3-Bromo-2-fluoro-4-(trifluoromethyl)pyridine

Similarity: 0.82

Chemical Structure| 1805282-86-3

[ 1805282-86-3 ]

2,5-Dibromo-3-(difluoromethyl)-6-fluoropyridine

Similarity: 0.80

Bromides

Chemical Structure| 17282-01-8

[ 17282-01-8 ]

3-Bromo-2-fluoro-5-picoline

Similarity: 0.84

Chemical Structure| 1227599-89-4

[ 1227599-89-4 ]

3-Bromo-2-fluoro-4-(trifluoromethyl)pyridine

Similarity: 0.82

Chemical Structure| 1805282-86-3

[ 1805282-86-3 ]

2,5-Dibromo-3-(difluoromethyl)-6-fluoropyridine

Similarity: 0.80

Trifluoromethyls

Chemical Structure| 1227599-89-4

[ 1227599-89-4 ]

3-Bromo-2-fluoro-4-(trifluoromethyl)pyridine

Similarity: 0.82

Related Parent Nucleus of
[ 1031929-01-7 ]

Pyridines

Chemical Structure| 17282-01-8

[ 17282-01-8 ]

3-Bromo-2-fluoro-5-picoline

Similarity: 0.84

Chemical Structure| 1227599-89-4

[ 1227599-89-4 ]

3-Bromo-2-fluoro-4-(trifluoromethyl)pyridine

Similarity: 0.82

Chemical Structure| 1805282-86-3

[ 1805282-86-3 ]

2,5-Dibromo-3-(difluoromethyl)-6-fluoropyridine

Similarity: 0.80