Home Cart 0 Sign in  
X

[ CAS No. 14229-27-7 ] {[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 14229-27-7
Chemical Structure| 14229-27-7
Chemical Structure| 14229-27-7
Structure of 14229-27-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 14229-27-7 ]

Related Doc. of [ 14229-27-7 ]

Alternatived Products of [ 14229-27-7 ]

Product Details of [ 14229-27-7 ]

CAS No. :14229-27-7 MDL No. :MFCD21603848
Formula : C5H4Cl2N4O Boiling Point : -
Linear Structure Formula :- InChI Key :YAUJFGUNNMAZQR-UHFFFAOYSA-N
M.W :207.02 Pubchem ID :70700319
Synonyms :

Calculated chemistry of [ 14229-27-7 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 44.55
TPSA : 94.89 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.55
Log Po/w (XLOGP3) : 1.12
Log Po/w (WLOGP) : 0.47
Log Po/w (MLOGP) : -0.55
Log Po/w (SILICOS-IT) : 0.73
Consensus Log Po/w : 0.46

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.13
Solubility : 1.52 mg/ml ; 0.00736 mol/l
Class : Soluble
Log S (Ali) : -2.71
Solubility : 0.407 mg/ml ; 0.00197 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.12
Solubility : 1.56 mg/ml ; 0.00755 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.25

Safety of [ 14229-27-7 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 14229-27-7 ]

* 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 [ 14229-27-7 ]

[ 14229-27-7 ] Synthesis Path-Downstream   1~11

YieldReaction ConditionsOperation in experiment
/BRN= 611298/ u. NH3;
Methylester (III) u. liq. NH3;
aus dem analogen Ester mit NH3;
2,3-Dichlor-6-amino-5-methoxycarbonyl-pyrazin, fl. NH3, DMSO (20grad, 24h, Druck);

  • 2
  • [ 1738-76-7 ]
  • [ 14229-27-7 ]
  • [ 1115177-13-3 ]
YieldReaction ConditionsOperation in experiment
45% With triethylamine; In N,N-dimethyl-formamide; at 60℃; for 18h;Inert atmosphere; To a solution of 2-pyrazinecarboxamide 2 (0.1 g, 0.483 mmol) in anhydrous DMF (2 mL) was added BnO-Gly-NH3+ OTs-(0.179 g, 0.531 mmol). Triethylamine (0.204 mL, 1.44 mmol) was added dropwise and the reaction mixture then was heated at 60 C for 18 h under nitrogen atmosphere. The reaction mixture was cooled in ice bath and quenched with saturated NH4Cl solution (4 mL). The quenched mixture was extracted with CH2Cl2 (3 x 20 mL), the organic layer washed with water (3 x 10 mL), brine (3 x 10 mL), dried (Na2SO4) and then concentrated by rotary evaporation. The crude product obtained was purified by flash silica gel chromatography eluting with 40% EtOAc in hexane to give compound 12 (0.073 g, 45%) as yellow crystals,
  • 3
  • [ 1458-18-0 ]
  • [ 14229-27-7 ]
YieldReaction ConditionsOperation in experiment
100% With ammonia; at -80℃; for 11.5h;Inert atmosphere; Reflux; Methyl 3-amino 5,6-dichloro-2-pyrazinecarboxylate (10 g, 45 mmol) was placed in a three-necked round bottom flask flushed with nitrogen, equipped with a bubbler and a gas condensor. The round bottomedflask and condensor were cooled to -80 C using a dry ice in acetone bath. Gaseous ammonia (500 mL) was condensed into the flask over a period of 1.5 h. Thereaction mixture was allowed to warm to reflux and maintained at reflux for a period of10 h. The ammonia then was allowed to evaporate from the flask (fume hood!) and the solid obtained was dried under high vacuum overnight to provide 3-amino-5,6-dichloro-2-pyrazinecarboxamide 4 (9.5 g, 100%) as solid,
  • 4
  • [ 14229-27-7 ]
  • [ 1115177-18-8 ]
  • [ 1115176-94-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: trichlorophosphate / toluene / 5 h / 80 °C / Inert atmosphere 2: trimethylaluminum; ammonium chloride / hexane; toluene / 32 h / 20 - 80 °C / Inert atmosphere 3: triethylamine / N,N-dimethyl-formamide / 48 h / 60 °C / Inert atmosphere 4: palladium 10% on activated carbon; hydrogen / ethanol / 32 h / 20 °C / Inert atmosphere
  • 5
  • [ 14229-27-7 ]
  • [ 1366001-20-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: trichlorophosphate / toluene / 5 h / 80 °C / Inert atmosphere 2: hydroxylamine hydrochloride; triethylamine / ethanol / 12 h / 20 °C
  • 6
  • [ 14229-27-7 ]
  • [ 1366001-19-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: trichlorophosphate / toluene / 5 h / 80 °C / Inert atmosphere 2: triethylamine / N,N-dimethyl-formamide / 16 h / 60 °C / Inert atmosphere
  • 7
  • [ 14229-27-7 ]
  • [ 1115177-14-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: trichlorophosphate / toluene / 5 h / 80 °C / Inert atmosphere 2: triethylamine / N,N-dimethyl-formamide / 16 h / 60 °C / Inert atmosphere 3: hydroxylamine hydrochloride; triethylamine / ethanol; dichloromethane / 4 h / -10 °C / Inert atmosphere
  • 8
  • [ 14229-27-7 ]
  • [ 1115177-16-6 ]
  • [ 1115177-15-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: trichlorophosphate / toluene / 5 h / 80 °C / Inert atmosphere 2: triethylamine / N,N-dimethyl-formamide / 16 h / 60 °C / Inert atmosphere 3: hydroxylamine hydrochloride; triethylamine / ethanol; dichloromethane / 4 h / -10 °C / Inert atmosphere 4: palladium 10% on activated carbon; ammonium formate / ethanol / 12 h / 20 °C / Inert atmosphere
  • 9
  • [ 14229-27-7 ]
  • [ 1366001-21-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: trichlorophosphate / toluene / 5 h / 80 °C / Inert atmosphere 2: trimethylaluminum; ammonium chloride / hexane; toluene / 32 h / 20 - 80 °C / Inert atmosphere
  • 10
  • [ 14229-27-7 ]
  • [ 1115177-17-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: trichlorophosphate / toluene / 5 h / 80 °C / Inert atmosphere 2: trimethylaluminum; ammonium chloride / hexane; toluene / 32 h / 20 - 80 °C / Inert atmosphere 3: triethylamine / N,N-dimethyl-formamide / 48 h / 60 °C / Inert atmosphere
  • 11
  • [ 14229-27-7 ]
  • [ 14340-28-4 ]
YieldReaction ConditionsOperation in experiment
88% With trichlorophosphate In toluene at 80℃; for 5h; Inert atmosphere; 3-amino-5,6-dichloro-2-pyrazinecarbonitrile (5): Anhydrous toluene (8 mL) was added to 3-amino 5,6-dichloro-2-pyrazinecarboxamide 4 (1g, 4.83 mmol) in a two-neckedround bottomed flask. The reaction mixture was heated to 80 °C and POCl3 (3.5 mL, 37.4 mmol) was added dropwise over a period of 10 min. The reaction mixture then was refluxed under nitrogen for 5h and then cooled to room temperature and followed by slow addition to a crushed ice with stirring. Aqueous NH4Cl was added to the quenched reaction mixture followed by extraction using CH2Cl2 (3 x 50 mL). The organic layer was washed with brine (3 x 50 mL), dried (Na2SO4), and concentrated by rotary evaporation. The solid residue was dried under high vacuum to yield 3-amino-5,6-dichloro-2-pyrazinecarbonitrile 5 (0.8 g, 88%) as yellow solid,
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 14229-27-7 ]

Chlorides

Chemical Structure| 1125-56-0

[ 1125-56-0 ]

3-Amino-6-chloropyrazine-2-carboxamide

Similarity: 0.95

Chemical Structure| 89167-48-6

[ 89167-48-6 ]

3-Amino-5,6-dichloropyrazine-2-carbaldehyde

Similarity: 0.85

Chemical Structure| 32209-52-2

[ 32209-52-2 ]

3,5-Diamino-6-chloro-N-ethylpyrazine-2-carboxamide

Similarity: 0.81

Chemical Structure| 89284-26-4

[ 89284-26-4 ]

3-Amino-6-chloropyrazine-2-carbaldehyde

Similarity: 0.81

Amides

Chemical Structure| 1125-56-0

[ 1125-56-0 ]

3-Amino-6-chloropyrazine-2-carboxamide

Similarity: 0.95

Chemical Structure| 32587-10-3

[ 32587-10-3 ]

3-Aminopyrazine-2-carboxamide

Similarity: 0.82

Chemical Structure| 50627-49-1

[ 50627-49-1 ]

3-Amino-5-methylpyrazine-2-carboxamide

Similarity: 0.81

Chemical Structure| 32209-52-2

[ 32209-52-2 ]

3,5-Diamino-6-chloro-N-ethylpyrazine-2-carboxamide

Similarity: 0.81

Amines

Chemical Structure| 1125-56-0

[ 1125-56-0 ]

3-Amino-6-chloropyrazine-2-carboxamide

Similarity: 0.95

Chemical Structure| 89167-48-6

[ 89167-48-6 ]

3-Amino-5,6-dichloropyrazine-2-carbaldehyde

Similarity: 0.85

Chemical Structure| 32587-10-3

[ 32587-10-3 ]

3-Aminopyrazine-2-carboxamide

Similarity: 0.82

Chemical Structure| 50627-49-1

[ 50627-49-1 ]

3-Amino-5-methylpyrazine-2-carboxamide

Similarity: 0.81

Chemical Structure| 32209-52-2

[ 32209-52-2 ]

3,5-Diamino-6-chloro-N-ethylpyrazine-2-carboxamide

Similarity: 0.81

Related Parent Nucleus of
[ 14229-27-7 ]

Pyrazines

Chemical Structure| 1125-56-0

[ 1125-56-0 ]

3-Amino-6-chloropyrazine-2-carboxamide

Similarity: 0.95

Chemical Structure| 89167-48-6

[ 89167-48-6 ]

3-Amino-5,6-dichloropyrazine-2-carbaldehyde

Similarity: 0.85

Chemical Structure| 32587-10-3

[ 32587-10-3 ]

3-Aminopyrazine-2-carboxamide

Similarity: 0.82

Chemical Structure| 50627-49-1

[ 50627-49-1 ]

3-Amino-5-methylpyrazine-2-carboxamide

Similarity: 0.81

Chemical Structure| 32209-52-2

[ 32209-52-2 ]

3,5-Diamino-6-chloro-N-ethylpyrazine-2-carboxamide

Similarity: 0.81