124796-97-0|Ethyl 2-(chloromethyl)-5-methylnicotinate| Ambeed

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Quality Control of [ 124796-97-0 ] Purity: 95% SDS Specification

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Product Details of [ 124796-97-0 ]

CAS No. :	124796-97-0
Formula :	C₁₀H₁₂ClNO₂
M.W :	213.66
SMILES Code :	O=C(OCC)C1=C(CCl)N=CC(C)=C1
MDL No. :	MFCD18256539
InChI Key :	QFBRIFBWBLEBMM-UHFFFAOYSA-N
Pubchem ID :	14600677

Safety of [ 124796-97-0 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H302-H314
Precautionary Statements:	P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Class:	8
UN#:	3265
Packing Group:	Ⅱ

Application In Synthesis of [ 124796-97-0 ]

* 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 [ 124796-97-0 ]

[ 124796-97-0 ] Synthesis Path-Downstream 1~15

1
[ 31931-53-0 ]
[ 124796-97-0 ]

Yield	Reaction Conditions	Operation in experiment
63%	With trichloroisocyanuric acid; In dichloromethane; at 20℃; for 16h;	A mixture of ethyl 2,5-dimethylnicotinate (6.0 g, 33.52 mmol), 1,3,5-trichloro-1,3,5- triazinane-2,4,6-trione (11.3 g, 50.3 mmol) in DCM (200 mL) was stirred for 16 hr at RT. The mixture was poured into aqueous NaHCO3 solution (100 mL), the organic layer was dried over Na2504, concentrated and purified by column chromatograph on silica gel using 20% EA in PEas an eluent to afford ethyl 2-(chloromethyl)-5-methylnicotinate (4.5 g, 63.0%) as yellow oil. MS (ESI, m/e) [M+1] 214.0.
	With trichloroisocyanuric acid; In dichloromethane; at 20 - 25℃; for 18h;	As shown in step 11 -ii of Scheme 11 , Compound 2035 (354 mg, 1.98 mmol) and l,3,5-trichloro-l,3,5-triazinane-2,4,6-trione (689 mg, 2.96 mmol) were combined in DCM (1.8 mL). After stirring 18 hours at room temperature, the mixture was diluted with 20 mLs each of saturated sodium carbonate and dichloromethane. The organics were separated, washed with saturated sodium carbonate, washed with brine, dried over sodium sulfate, filtered, and concentrated under reduced pressure to give ethyl 2-(chloromethyl)-5- methylnicotinate (Compound 2036, 465 mg) as a pale yellow oil: ESMS (M+l) 213.86.

References: [1]Patent: WO2016/161960,2016,A1 .Location in patent: Paragraph 0434.
[2]Patent: WO2011/87776,2011,A1 .Location in patent: Page/Page column 68; 70.

2
[ 129477-22-1 ]
[ 124796-97-0 ]

References: [1]Patent: WO2011/87776,2011,A1 .

3
[ 124796-97-0 ]
[ 1315544-67-2 ]

Yield	Reaction Conditions	Operation in experiment
63%	With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 - 25℃; for 18h;	As shown in step 11 -iii of Scheme 11 , Compound 2036 (465 mg, 2.18 mmol) was placed in a 40 ml vial, diluted with DCM (4.35 mL), and 3-chlorobenzenecarboperoxoic acid (m-CPBA, 551 mg, 2.39 mmol) was added at room temperature with stirring. After 18 hours, the mixture was diluted with 30 mL of DCM, washed with saturated sodium carbonate (3 x 5 mL), and washed with brine. The organics were passed through a phase separator and concentrated to dryness under reduced pressure to give ethyl 2-(chloromethyl)-3- (ethoxycarbonyl)-5-methylpyridine 1-oxide (Compound 2037, 318 mg, 1.38 mmol, 63% yield): ESMS (M+l) 230.14. This material was used as is in subsequent reactions

References: [1]Patent: WO2011/87776,2011,A1 .Location in patent: Page/Page column 68; 70.

4
[ 124796-97-0 ]
[ 1315544-68-3 ]

References: [1]Patent: WO2011/87776,2011,A1 .

5
[ 124796-97-0 ]
[ 1315544-69-4 ]

References: [1]Patent: WO2011/87776,2011,A1 .

6
[ 124796-97-0 ]
[ 1315536-85-6 ]

References: [1]Patent: WO2011/87776,2011,A1 .

7
[ 124796-97-0 ]
ethyl 2-(aminomethyl)-5-methylnicotinate [ No CAS ]