ChemicalBook > CAS DataBase List > Methyl 3-isoquinolinecarboxylate

Methyl 3-isoquinolinecarboxylate

Product Name: Methyl 3-isoquinolinecarboxylate
CAS No.: 27104-73-0
Chemical Name: Methyl 3-isoquinolinecarboxylate
Synonyms: METHYL ISOQUINOLINE-3-CARBOXYLATE;3-(Methoxycarbonyl)isoquinoline;METHYL 3-ISOQUINOLINECARBOXYLATE;Methyl 3-isoquinolinecarboxylate,98%;Methylisoquinoline-3-carboxylate,98%;3-Isoquinolinecarboxylicacidmethylester;ISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER;3-Isoquinolinecarboxylic acid, methyl ester ,98%;Methyl 3-isoquinolinecarboxylate ISO 9001：2015 REACH
CBNumber: CB9188097
Molecular Formula: C11H9NO2
Formula Weight: 187.19
MOL File: 27104-73-0.mol

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Methyl 3-isoquinolinecarboxylate Property

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
form: powder
pka: 2.58±0.30(Predicted)
Appearance: Off-white to light yellow Solid
BRN: 473630
InChI: InChI=1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3
InChIKey: ZBCGBIZQNMVMPC-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC=C2)C=C(C(OC)=O)N=1
CAS DataBase Reference: 27104-73-0(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-37/39
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29334900

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 338559
Product name: Methyl 3-isoquinolinecarboxylate
Purity: 98%
Packaging: 1g
Price: $78.5
Updated: 2025/07/31

TRC

Product number: M321470
Product name: MethylIsoquinoline-3-carboxylate
Packaging: 10mg
Price: $45
Updated: 2021/12/16

Frontier Specialty Chemicals

Product number: JK149322
Product name: Methyl 3-isoquinolinecarboxylate
Packaging: 1g
Price: $52
Updated: 2021/12/16

AK Scientific

Product number: W5022
Product name: Methylisoquinoline-3-carboxylate
Packaging: 1g
Price: $67
Updated: 2021/12/16

Frontier Specialty Chemicals

Product number: JK149322
Product name: Methyl 3-isoquinolinecarboxylate
Packaging: 250mg
Price: $16
Updated: 2021/12/16

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Methyl 3-isoquinolinecarboxylate Chemical Properties,Usage,Production

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

Synthesis

79815-19-3

27104-73-0

General procedure for the synthesis of methyl isoquinoline-3-carboxylate from methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate: In a 250 mL aubergine vial, (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (2) (4.23 g, 22.15 mmol) and N,N-dimethylformamide (50 mL) were added. Subsequently, potassium permanganate (2.97 g, 18.79 mmol) was added to the solution. After the reaction was carried out for 6 hours, ethanol (50 mL) was added and stirred for 30 minutes. After that, the solvent was removed and the residue was dissolved with methanol (30 mL). Finally, the residue was purified by column chromatography to give a colorless solid product (858 mg, 24.56% yield).

References

[1] RSC Advances, 2017, vol. 7, # 77, p. 48848 - 48852
[2] Journal of Agricultural and Food Chemistry, 2018, vol. 66, # 34, p. 8957 - 8965
[3] Patent: CN106986825, 2017, A. Location in patent: Paragraph 0023; 0031; 0032

Methyl 3-isoquinolinecarboxylate Preparation Products And Raw materials

Raw materials

Xylene DL-Phenylalanine Formaldehyde Palladium Methanol

Preparation Products

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View Lastest Price from Methyl 3-isoquinolinecarboxylate manufacturers

Career Henan Chemical Co

Product: Methyl 3-isoquinolinecarboxylate 27104-73-0
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: Kg/T
Release date: 2019-12-19

27104-73-0, Methyl 3-isoquinolinecarboxylateRelated Search:

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Methylisoquinoline-3-carboxylate,98%

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Methyl 3-isoquinolinecarboxylate ISO 9001：2015 REACH

27104-73-0

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