2-Methyl-2-propanyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Basic Information

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CAS Number

158984-83-9

Molecular Formula

C14H19NO3

Molecular Weight

249.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

391.4°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)O

InChI

InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-7-6-10-8-12(16)5-4-11(10)9-15/h4-5,8,16H,6-7,9H2,1-3H3

InChIKey

IVHHZZKGSYGTKZ-UHFFFAOYSA-N

LogP

2.6854000000000013

Topological Polar Surface Area

49.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

311

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

tert-Butyl-6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate
2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-6-HYDROXY-, 1,1-DIMETHYLETHYL ESTER
AB44585
TERT-BUTYL 6-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
Q-102316
2-Boc-1,2,3,4-tetrahydroisoquinolin-6-ol
N-tert-butoxycarbonyl-6-hydroxy-1,2,3,4-tetrahydroisoquinoline
1,1-Dimethylethyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate
SY101352
2(1H)-Isoquinolinecarboxylicacid,3,4-dihydro-6-hydroxy-,1,1-dimethylethyl ester
6-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester
DTXSID90434971
tert.-butyl 6-hydroxy-3,4-dihydro-1h-isoquinoline-2-carboxylate
F2167-0037
2-tert-Butoxycarbonyl-6-hydroxy-1,2,3,4-tetrahydroisoquinoline
SCHEMBL450677
2-tert-Butoxycarbonyl-6-hydroxy -1,2,3,4-tetrahydroisoquinoline
158984-83-9
N-Boc-6-hydroxy-3,4-dihydro-isoquinoline
EN300-238172
A3510
tert-Butyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate
tert-butyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
IVHHZZKGSYGTKZ-UHFFFAOYSA-N
6-Hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
FE-0745
FT-0600497
CS-M1347
AKOS005765956
AMY4359
tert-butyl6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate

MDL Number

MFCD08275034

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 158984-83-9)?

2-Methyl-2-propanyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate is a solid compound with a crystalline form. The molecular weight is approximately 258.34 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo various transformations. It has a melting point of around 120-122°C and a boiling point of approximately 300°C.

How is 2-Methyl-2-propanyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 158984-83-9) typically synthesized?

2-Methyl-2-propanyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate can be synthesized via a multi-step process involving the formation of a key intermediate, followed by a ring closure reaction. Common methods include the use of palladium catalysts and base in an organic solvent. The overall yield is typically around 75-80%, and the reaction is selective towards the desired product.

What industries use 2-Methyl-2-propanyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 158984-83-9)?

2-Methyl-2-propanyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It also has applications in the production of certain polymers and in the development of new materials for sensors and semiconductors. Its use in these industries is growing due to its unique chemical properties and reactivity.

What precautions should be taken when handling 2-Methyl-2-propanyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 158984-83-9)?

When handling 2-Methyl-2-propanyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up immediately using an appropriate absorbent material and disposed of according to safety data sheet (SDS) guidelines. Proper disposal and storage in a secure, labeled container are also essential.