CAS No.169905-10-6,2-CHLOROMETHYL-3,4-DIMETHOXY PYRIDINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	169905-10-6
Name:	2-CHLOROMETHYL-3,4-DIMETHOXY PYRIDINE HYDROCHLORIDE
Article Data:	4

Formula:	C₈H₁₀ClNO₂
Molecular Weight:	187.626
Synonyms:	2-CHLOROMETHYL-3,4-DIMETHOXY PYRIDINE;2-(CHLOROMETHYL)-3,4-DIMETHOXY PYRIDINE HCL;2-CHLOROMETHYL-3,4-DIMETHOXY PYRIDINE HYDROCHLORIDE;Pyridine, 2-(chloromethyl)-3,4-dimethoxy- (9CI);2-(ChloroMethyl)-3;4-diMethoxypyridine hydrochloride
Density:	1.185 g/cm³
Melting Point:	155 °C (dec.)(lit.)
Boiling Point:	257.8 °C at 760 mmHg
Flash Point:	109.7 °C
Hazard Symbols:	R21/22-38-41-43-48/22-51/53:;
Risk Codes:	Xn,N:; "> Xn,N:;
Safety:	26-36/37/39-61
PSA:	121.70000
LogP:	3.26110

Synthetic route

: 72830-08-1
2-hydroxymethyl-3,4-dimethoxypyridine

: 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane	88%
With thionyl chloride In dichloromethane	88%
With thionyl chloride In dichloromethane at 25℃; for 2h;

: 72830-07-0
3,4-dimethoxy-2-methylpyridine N-oxide

: 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine

Conditions

Conditions	Yield
Stage #1: 3,4-dimethoxy-2-methylpyridine N-oxide With p-toluenesulfonyl chloride In dichloromethane at 20℃; for 1h; Stage #2: With triethylamine In dichloromethane at 20℃; for 2h;
Multi-step reaction with 3 steps 1: AcOH / 120 °C 2: 2N aq. NaOH / methanol / 2 h / 25 °C 3: SOCl2 / CH2Cl2 / 2 h / 25 °C View Scheme

: 102625-99-0
2-acetoxymethyl-3,4-dimethoxypyridine

: 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2N aq. NaOH / methanol / 2 h / 25 °C 2: SOCl2 / CH2Cl2 / 2 h / 25 °C View Scheme

: 121-33-5
vanillin

: 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine

: 4-((3,4-dimethoxypyridin-2-yl)methoxy)-3-methoxybenzaldehyde

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetone at 20℃; for 20h;	98%

: 100-02-7
4-nitro-phenol

: 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine

: 3,4-dimethoxy-2-[(4-nitrophenoxy)methyl]pyridine

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 20℃; for 3h;	95.1%

: 1166385-86-9
C14H10N4OS2

: 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine

: 1166385-45-0
C30H28N6O5S2

Conditions

Conditions	Yield
With sodium hydroxide In methanol for 3h; Reflux;	90.7%

: 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine

: 97963-62-7
5-(difluoromethoxy)-2-mercapto-1H-benzimidazole

: 102625-64-9
pantoprazole sulfide

Conditions

Conditions	Yield
With sodium hydroxide In water; isopropyl alcohol at 20℃; for 3h;	87.8%
With sodium hydroxide In water Flow reactor;

: 884330-09-0
desmethyl dibenzimidazole

: 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine

: C26H27N5O2

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 50℃; for 15h;	85%

: 1247013-51-9
C40H30N6S

: 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine

: 1247013-53-1
C48H39N7O2S

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 25 - 30℃; for 15h;	85%

: 769-28-8
3-Cyano-4,6-dimethyl-2(1H)-pyridon

: 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine

: 2-((3,4-dimethoxypyridin-2-yl)methoxy)-4,6-dimethylnicotinonitrile

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; zinc(II) oxide; zinc(II) chloride In 1,4-dioxane at 110℃; Inert atmosphere;	80%

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Specification

The Pyridine,2-(chloromethyl)-3,4-dimethoxy-, with the CAS registry number 169905-10-6, is also known as 2-Chloromethyl-3,4-dimethoxy pyridine hydrochloride. This chemical's molecular formula is C₈H₁₀ClNO₂ and molecular weight is 187.6235. Its systematic name is called 2-(chloromethyl)-3,4-dimethoxypyridine.

Physical properties of Pyridine,2-(chloromethyl)-3,4-dimethoxy-: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 7.81; (6)ACD/BCF (pH 7.4): 8.47; (7)ACD/KOC (pH 5.5): 148.11; (8)ACD/KOC (pH 7.4): 160.57; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.511; (13)Molar Refractivity: 47.46 cm³; (14)Molar Volume: 158.3 cm³; (15)Surface Tension: 36.7 dyne/cm; (16)Density: 1.184 g/cm³; (17)Flash Point: 109.7 °C; (18)Enthalpy of Vaporization: 47.54 kJ/mol; (19)Boiling Point: 257.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0229 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nccc(OC)c1OC
(2)InChI: InChI=1/C8H10ClNO2/c1-11-7-3-4-10-6(5-9)8(7)12-2/h3-4H,5H2,1-2H3
(3)InChIKey: ZWFCXDBCXGDDOM-UHFFFAOYAV