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ChemicalBook--->CAS DataBase List--->27104-73-0

27104-73-0

27104-73-0 Structure

27104-73-0 Structure
IdentificationMore
[Name]

Methyl 3-isoquinolinecarboxylate
[CAS]

27104-73-0
[Synonyms]

ISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER
METHYL 3-ISOQUINOLINECARBOXYLATE
METHYL ISOQUINOLINE-3-CARBOXYLATE
3-Isoquinolinecarboxylicacidmethylester
Methylisoquinoline-3-carboxylate,98%
3-Isoquinolinecarboxylic acid, methyl ester ,98%
[EINECS(EC#)]

626-565-9
[Molecular Formula]

C11H9NO2
[MDL Number]

MFCD00075138
[Molecular Weight]

187.19
[MOL File]

27104-73-0.mol
Chemical PropertiesBack Directory
[Appearance]

Cream powder
[Melting point ]

86-88 °C (lit.)
[Boiling point ]

321.94°C (rough estimate)
[density ]

1.1963 (rough estimate)
[refractive index ]

1.4900 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

2.58±0.30(Predicted)
[Detection Methods]

GC,NMR
[BRN ]

473630
[CAS DataBase Reference]

27104-73-0(CAS DataBase Reference)
Safety DataBack Directory
[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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29334900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Palladium-->Formaldehyde-->Xylene-->DL-Phenylalanine-->1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid methyl ester-->METHYL-2-N-(ACETYLAMINO)-DIMETHYL PHOSPHONO ACETATE-->Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate-->H-DL-TIC-OH-->2-IODOBENZALDEHYDE-->Methyl 2-acetamidoacrylate-->2-Acetamidoacrylic acid-->Isoquinoline-3-carboxylic acid-->Sodium Methoxide-->2-Bromobenzaldehyde
[Preparation Products]

3-Isoquinolinecarbonitrile-->Isoquinoline-3-carbohydrazide
Hazard InformationBack Directory
[Chemical Properties]

Cream powder
[Uses]

Methyl 3-isoquinolinecarboxylate was used in the preparation of 3-acetylisoquinoline.
[Definition]

ChEBI: Methyl isoquinoline-3-carboxylate is a member of isoquinolines.
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 25, p. 1081, 1982 DOI: 10.1021/jm00351a015
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3-isoquinolinecarboxylate(27104-73-0)1HNMR
Methyl 3-isoquinolinecarboxylate(27104-73-0)Raman
Methyl 3-isoquinolinecarboxylate(27104-73-0)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 3-isoquinolinecarboxylate, 98%(27104-73-0)
[Alfa Aesar]

Methyl isoquinoline-3-carboxylate, 98%(27104-73-0)
[Sigma Aldrich]

27104-73-0(sigmaaldrich)
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