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Pyridine,2,3-bis(chloromethyl)-

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Name

Pyridine,2,3-bis(chloromethyl)-

EINECS N/A
CAS No. 45754-12-9 Density 1.275 g/cm3
PSA 12.89000 LogP 2.55920
Solubility N/A Melting Point N/A
Formula C7H7 Cl2 N Boiling Point 264.48 ºC at 760 mmHg
Molecular Weight 176.045 Flash Point 139.294 ºC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 45754-12-9 (2,3-BIS(CHLOROMETHYL)PYRIDINE) Hazard Symbols N/A
Synonyms

2,3-Bis(chloromethyl)pyridine;

Article Data 9

Pyridine,2,3-bis(chloromethyl)- Synthetic route

423169-40-8

2,3-bis(hydroxymethyl)pyridine hydrochloride

45754-12-9

2,3-bis(chloromethyl)-pyridine

Conditions
ConditionsYield
With thionyl chloride In toluene89%
38070-79-0

2,3-bis(hydroxymethyl)pyridine

45754-12-9

2,3-bis(chloromethyl)-pyridine

Conditions
ConditionsYield
With thionyl chloride In dichloromethane at 45℃; Cooling with ice;40%
With thionyl chloride In dichloromethane at 75℃; for 1h;26%
With thionyl chloride In dichloromethane Heating / reflux;24%
2050-22-8

2,3-diethyl pyridinedicarboxylate

45754-12-9

2,3-bis(chloromethyl)-pyridine

Conditions
ConditionsYield
With lithium aluminium tetrahydride; diethyl ether Erwaermen des Reaktionsprodukts mit Thionylchlorid;
89-00-9

Pyridine-2,3-dicarboxylic acid

45754-12-9

2,3-bis(chloromethyl)-pyridine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 72 percent / conc. H2SO4 / 20 h / Heating
2: 85 percent / NaBH4 / ethanol / 17 h / Heating
3: 26 percent / SOCl2 / CH2Cl2 / 1 h / 75 °C
View Scheme
Multi-step reaction with 3 steps
1: sulfuric acid
2: sodium tetrahydroborate; hydrogenchloride / ethanol
3: thionyl chloride / toluene
View Scheme
Multi-step reaction with 3 steps
1: thionyl chloride / Heating / reflux
2: sodium tetrahydroborate / ethanol; water / 20 °C
3: thionyl chloride / dichloromethane / Heating / reflux
View Scheme
605-38-9

dimethyl 2,3-pyridinedicarboxylate

45754-12-9

2,3-bis(chloromethyl)-pyridine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 85 percent / NaBH4 / ethanol / 17 h / Heating
2: 26 percent / SOCl2 / CH2Cl2 / 1 h / 75 °C
View Scheme
Multi-step reaction with 2 steps
1: sodium tetrahydroborate; hydrogenchloride / ethanol
2: thionyl chloride / toluene
View Scheme
Multi-step reaction with 2 steps
1: sodium tetrahydroborate / ethanol; water / 20 °C
2: thionyl chloride / dichloromethane / Heating / reflux
View Scheme
Multi-step reaction with 2 steps
1: sodium tetrahydroborate / ethanol / 80 °C / Cooling with ice
2: thionyl chloride / dichloromethane / 45 °C / Cooling with ice
View Scheme
583-61-9

2,3-Lutidine

45754-12-9

2,3-bis(chloromethyl)-pyridine

27221-49-4

2,3-bis(chloromethyl)pyridine hydrochloride

45754-12-9

2,3-bis(chloromethyl)-pyridine

Conditions
ConditionsYield
With sodium carbonate In dichloromethane; water pH=7.5 - 8;
45754-12-9

2,3-bis(chloromethyl)-pyridine

7677-24-9

trimethylsilyl cyanide

C9H7N3

Conditions
ConditionsYield
Stage #1: trimethylsilyl cyanide With cesium fluoride In acetonitrile at 10 - 20℃; for 0.5h;
Stage #2: 2,3-bis(chloromethyl)-pyridine In acetonitrile at 10 - 40℃; for 12h; Temperature; Reagent/catalyst;
98.6%
45754-12-9

2,3-bis(chloromethyl)-pyridine

18522-92-4

sodium p-toluenesulfonamide

204593-50-0

6-(toluene-4-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70 - 80℃; for 2.5h;80.5%
45754-12-9

2,3-bis(chloromethyl)-pyridine

1056039-93-0

N-(((1S,9aS)-7-amino-3-oxo-1,3,9,9a-tetrahydrooxazolo[3,4-a]indol-1-yl)methyl)acetamide

1056035-14-3

N-(((1S,9aS)-3-oxo-7-(5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-1,3,9,9a-tetrahydrooxazolo[3,4-a]indol-1-yl)methyl)acetamide

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 80 - 90℃;80%

Pyridine,2,3-bis(chloromethyl)- Specification

The Pyridine,2,3-bis(chloromethyl)-, with the cas registry number 45754-12-9, has the systematic name of 2,3-bis(chloromethyl)pyridine.

The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 114; (8)ACD/KOC (pH 7.4): 115; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.89; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 43.875 cm3; (14)Molar Volume: 138.047 cm3; (15)Polarizability: 17.394 ×10-24 cm3; (16)Surface Tension: 42.237 dyne/cm; (17)Density: 1.275 g/cm3; (18)Flash Point: 139.294 °C; (19)Enthalpy of Vaporization: 48.21 kJ/mol; (20)Boiling Point: 264.48 °C at 760 mmHg; (21)Vapour Pressure: 0.016 mmHg at 25°C.

Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:ClCc1ncccc1CCl
(2)InChI:InChI=1/C7H7Cl2N/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4-5H2
(3)InChIKey:FDHDTLFJPYRSBM-UHFFFAOYAK
 

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