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

Basic Information

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CAS Number

164148-92-9

Molecular Formula

C14H20N2O2

Molecular Weight

248.33 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 Amines

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

Pale-yellow to Yellow-brown Solid

Boiling Point

394.7°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3

InChIKey

OLOIFCYZWOTWRO-UHFFFAOYSA-N

LogP

2.562000000000001

Topological Polar Surface Area

55.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AC-23291
MFCD03426351
tert-butyl 6-amino-3,4-dihydro-2(1H)-isoquinolinecarboxylate
tert-butyl 6-amino-3,4dihydroisoquinoline-2(1h)-carboxylate
6-Amino-3,4dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
SCHEMBL61143
EN300-396901
6-amino-3,4-dihydro-1h-isoquinoline2-carboxylic acid tert-butyl ester
6-amino-2-n-boc-1,2,3,4-tetrahydro-isoquinoline
FT-0643583
AKOS015854639
DTXSID20373344
1,1-Dimethylethyl 6-amino-3,4-dihydro-2(1H)-isoquinolinecarboxylate
A3644
6-amino-3,4-dihydro-1H-isoquinoline-2-caboxyiic acid tert-butyl ester
tert-butyl 6-amino-3,4-dihydroisoquinoline-2(1h)-carboxylate
DS-11163
Q-102314
tert-butyl6-amino-3,4-dihydroisoquinoline-2(1h)-carboxylate
2-Boc-6-Amino-1,2,3,4-tetrahydroisoquinoline
PB15747
Z1741960800
6-Amino-2-N-BOC-1,2,3,4-tetrahydroisoquinoline
tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
SY056871
AM20030104
OLOIFCYZWOTWRO-UHFFFAOYSA-N
6-Amino-2-(t-butyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline
CS-M0025
6-Amino-2-Boc-1,2,3,4-tetrahydroisoquinoline
2(1H)-ISOQUINOLINECARBOXYLIC ACID, 6-AMINO-3,4-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER

MDL Number

MFCD03426351

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 6-amino-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 164148-92-9)?

The compound has a crystalline form with a molecular weight of approximately 308.35 g/mol. It is slightly soluble in water but more soluble in organic solvents. Chemically, it exhibits basic properties due to the amino group and is reactive towards acidic compounds. It is also prone to hydrolysis under basic conditions.

How is 2-Methyl-2-propanyl 6-amino-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 164148-92-9) typically synthesized?

This compound can be synthesized via a multistep process involving the condensation of 2-methyl-2-propanol with an appropriate isocyanate followed by the addition of a primary amine. The reaction is typically catalyzed by a Lewis acid and proceeds with good selectivity and yield.

What industries use 2-Methyl-2-propanyl 6-amino-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 164148-92-9)?

This compound is used in pharmaceuticals and fine chemicals due to its biological activity. It may also find applications in the production of certain polymers and as a precursor in the synthesis of other organic compounds.

What precautions should be taken when handling 2-Methyl-2-propanyl 6-amino-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 164148-92-9)?

Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area, preferably in a fume hood. Spills should be handled with a neutralizing agent and appropriate disposal methods should be followed. Always refer to the appropriate safety data sheet (SDS) for specific handling instructions.