CAS No.45754-12-9,2,3-BIS(CHLOROMETHYL)PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	45754-12-9
Name:	2,3-BIS(CHLOROMETHYL)PYRIDINE
Article Data:	9

Formula:	C₇H₇C_l2 N
Molecular Weight:	176.045
Synonyms:	2,3-Bis(chloromethyl)pyridine;
Density:	1.275 g/cm³
Boiling Point:	264.48 ºC at 760 mmHg
Flash Point:	139.294 ºC
PSA:	12.89000
LogP:	2.55920

Synthetic route

: 423169-40-8
2,3-bis(hydroxymethyl)pyridine hydrochloride

: 45754-12-9
2,3-bis(chloromethyl)-pyridine

Conditions

Conditions	Yield
With thionyl chloride In toluene	89%

: 38070-79-0
2,3-bis(hydroxymethyl)pyridine

: 45754-12-9
2,3-bis(chloromethyl)-pyridine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

Downstream Products

147739-88-6

583-61-9

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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