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71985-80-3

71985-80-3 Structure

71985-80-3 Structure
IdentificationMore
[Name]

1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
[CAS]

71985-80-3
[Synonyms]

1-METHYL-4-PIPERIDINECARBOXYLIC ACID HYDROCHLORIDE
1-METHYL-PIPERIDINE-4-CARBOXYLIC ACID HCL
1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
1-METHYLPIPERIDINO-4-CARBOXYLIC ACID HYDROCHLORIDE
4-CARBOXY-1-METHYL-PIPERIDINE HCL
BIO-FARMA BF002150
RARECHEM AH CK 0139
TIMTEC-BB SBB003751
Methylpiperidincarbonsurehydrochlorid
1-Methyl-piperidine-4-carboxylic acid hydochloride, 98%
N-MethylisonipecoticacidHCl
1-Methylpiperidine-4-carboxylic acid hydrochloride 98%
1-METHYL-PIPERIDINE-4-CARBOXYLIC ACID X HCL
1-Methylpiperidine-4-carboxylic acid hydrochloride ,98%
[Molecular Formula]

C7H14ClNO2
[MDL Number]

MFCD00190235
[Molecular Weight]

179.64
[MOL File]

71985-80-3.mol
Chemical PropertiesBack Directory
[Melting point ]

226-228°C (dec.)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[color ]

Off-white
[Detection Methods]

T,NMR
[InChI]

InChI=1S/C7H13NO2.ClH/c1-8-4-2-6(3-5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
[InChIKey]

NLUDEWJJEMHIIL-UHFFFAOYSA-N
[SMILES]

N1(C)CCC(C(O)=O)CC1.[H]Cl
[CAS DataBase Reference]

71985-80-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Diethyl ether-->Chloroform-->Formaldehyde-->Formic acid-->Isonipecotic acid-->1-METHYLPIPERIDINE-4-CARBALDEHYDE-->1-METHYLPIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE-->Ethyl 1-methyl-4-piperidinecarboxylate
[Preparation Products]

4-Piperidinecarbonyl chloride, 1-methyl- (9CI)-->Methanone, (6-bromo-2-pyridinyl)(1-methyl-4-piperidinyl)-, hydrobromide (1:1)-->N-METHYL-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER
Hazard InformationBack Directory
[Chemical Properties]

Off-white solid
[Synthesis]

The synthesis method of 1-Methylpiperidine-4-carboxylic acid Hydrochloride is shown below: Charge isonipecotic acid, palladium, and purified water into a reaction vessel. Heat the resulting mixture to 90 to 95° C. Charge formic acid and formaldehyde to the vessel. Cool the resulting mixture to 20 to 30° C. Filter the reaction mixture through GF/F. Wash the filter cake with purified water. Concentrate the combined filtrates to ca 2 vol at atmospheric pressure. Adjust the temperature 65 to 75° C. Charge conc—hydrochloric acid to the vessel. Charge acetonitrile to the vessel at ≧70° C. and concentrate the solution to ca 2 vol at atmospheric pressure. Charge acetonitrile to the vessel. Moreover, concentrate the solution at atmospheric pressure to ca 2 vol. Charge acetonitrile to the vessel. Moreover, concentrate the solution at atmospheric pressure to ca 3 vol. Check the water content by KF analysis of the supernatant liquors using AX reagent. Cool the reaction mixture to 20 to 25° C. Stir the reaction mixture for 1 to 2 hours. Filter the reaction mixture. Wash the filter cake with acetonitrile. Dry the product up to 50° C. until ≦0.5% w/w by LOD and ≦0.2% w/w water.
[References]

[1] Journal of Medicinal Chemistry, 1988, vol. 31, # 4, p. 807 - 814
[2] Patent: WO2011/123654, 2011, A1. Location in patent: Page/Page column 29-30
[3] Patent: WO2010/83384, 2010, A2. Location in patent: Page/Page column 61
Spectrum DetailBack Directory
[Spectrum Detail]

1-Methylpiperidine-4-carboxylic acid hydrochloride(71985-80-3)1HNMR
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