ChemicalBook--->CAS DataBase List--->57196-62-0

57196-62-0

57196-62-0 Structure

57196-62-0 Structure
IdentificationBack Directory
[Name]

6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
[CAS]

57196-62-0
[Synonyms]

6-Methoxy-1,2,3,4-tetrahydrois
6-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HCL
ISOQUINOLINE 1,2,3,4-TETRAHYDRO-6-METHOXY HCL SALT
1,2,3,4-tetrahydro-6-methoxyisoquinoline hydrochloride
6-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
6-Methoxy-1,2,3,4-tetraihydroisoquinoline hydrochloride
6-Methoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride,95%
Isoquinoline, 1,2,3,4-tetrahydro-6-Methoxy-, hydrochloride
Isoquinoline,1,2,3,4-tetrahydro-6-methoxy-,hydrochloride(1:1)
Better offer for 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
[EINECS(EC#)]

-0
[Molecular Formula]

C10H14ClNO
[MDL Number]

MFCD01717328
[MOL File]

57196-62-0.mol
[Molecular Weight]

199.68
Chemical PropertiesBack Directory
[Melting point ]

230-232.5°C
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[Appearance]

White to off-white Solid
[InChI]

1S/C10H13NO.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H
[InChIKey]

QIUIKPQXMJJOQT-UHFFFAOYSA-N
[SMILES]

Cl.COc1ccc2CNCCc2c1
[CAS DataBase Reference]

57196-62-0
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280g-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22-51
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

2933491090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Tetrahydrofuran-->Lithium Aluminum Hydride-->Paraformaldehyde-->(3-Methoxyphenyl)acetonitrile-->Formaldehyde-->4-Methoxyphenethylamine-->Water
[Preparation Products]

6-Methoxy-1,2,3,4-tetrahydro-isoquinoline-->6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
Spectrum DetailBack Directory
[Spectrum Detail]

6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride(57196-62-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

Formaldehyde

50-00-0

4-Methoxyphenethylamine

55-81-2

6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

57196-62-0

To a stirred suspension of 4-methoxyphenethylamine (50.4 g, 0.33 mol, 1.0 eq.) in water (40 mL) was slowly added 37% aqueous formaldehyde (27.5 mL, 1.1 eq.) with continuous stirring for 20 minutes. Subsequently, concentrated hydrochloric acid (80 mL) was added dropwise to the reaction mixture and the mixture was heated to reflux and maintained for 1 hour. Upon completion of the reaction, the mixture was cooled to room temperature and concentrated to dryness in a rotary evaporator. The resulting residue was purified by recrystallization from acetone to afford 6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride as a white solid (60.1 g, 90% yield). The product did not require further purification and could be used directly in the subsequent reaction. Mass spectrometry analysis showed that the MH+ peak was located at 164.

[References]

[1] Patent: WO2003/99786, 2003, A2. Location in patent: Page 35
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