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

Basic Information

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CAS Number

893566-74-0

Molecular Formula

C14H18BrNO2

Molecular Weight

312.21 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

374.2°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3

InChIKey

SZIPGDGOBMFCEH-UHFFFAOYSA-N

LogP

3.742300000000003

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

313

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

FT-0645459
A843140
SCHEMBL587847
tert-butyl 6-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-Butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
MFCD08752228
AKOS015834749
A1-00892
DTXSID50678319
893566-74-0
tert-butyl 6-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
SB39676
6-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
2(1H)-Isoquinolinecarboxylic acid, 6-bromo-3,4-dihydro-, 1,1-dimethylethyl ester
TERT-BUTYL 6-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
AM20120478
tert-butyl-6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
DS-10830
EN300-268878
SY041617
6-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLICACIDTERT-BUTYLESTER
tert-butyl 6-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
2-Boc-6-bromo-3,4-dihydro-1H-isoquinoline
CS-W018784
2-Boc-6-bromo-1,2,3,4-tetrahydroisoquinoline
1,1-dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate
SZIPGDGOBMFCEH-UHFFFAOYSA-N
tert-Butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
6-Bromo-1,2,3,4-tetrahydro-isoquinoline hydrochloride
PubChem14898
2-N-Boc-6-bromo-1,2,3,4-tetrahydroisoquinoline
BC003954

MDL Number

MFCD08752228

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 893566-74-0)?

2-Methyl-2-propanyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 893566-74-0) is subject to regulatory guidelines under the Globally Harmonized System (GHS) for classification and labeling of chemicals, as well as REACH regulations in Europe. In the United States, it is also subject to FDA and EPA regulations regarding its safe handling and disposal.

Are there alternatives to 2-Methyl-2-propanyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate in synthesis?

Alternatives to 2-Methyl-2-propanyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate in synthesis include various brominated isoquinoline derivatives, such as 6-chloro derivatives or other functionalized isoquinolines. These alternatives can provide similar reactivity profiles and can be used depending on the specific needs of the reaction.

What is the market or research trend for 2-Methyl-2-propanyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 893566-74-0)?

The market for 2-Methyl-2-propanyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate is growing due to its application in pharmaceutical and agrochemical industries. Research trends focus on its potential as a precursor in drug synthesis and as a functional group for modifying other molecules. Recent studies also explore its environmental impact and safer alternatives.

How should waste containing 2-Methyl-2-propanyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS: 893566-74-0) be handled?

Waste containing 2-Methyl-2-propanyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate should be collected in appropriate containers and disposed of by incineration or through professional waste disposal services. Environmental protection measures include ensuring no spillage or contamination of soil or water during handling and disposal. Proper documentation and compliance with local, national, and international regulations are essential.