Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

Basic Information

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CAS Number

893566-75-1

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

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)16-8-7-10-5-4-6-12(15)11(10)9-16/h4-6H,7-9H2,1-3H3

InChIKey

GKXSAKJDUDGJFB-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

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

Synonyms & References

English

Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
2-Boc-8-bromo-1,2,3,4-tetrahydro-isoquinoline
N-BOC-1,2,3,4-tetrahydro-8-bromo-isoquinoline
tert-butyl 8-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
tert-Butyl 8-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
GKXSAKJDUDGJFB-UHFFFAOYSA-N
4762AC
SB18413
AK104615
SY021178
ST24050078
2-Boc-8-bromo-1,2,3,4-tetrahydroiso
1,1-Dimethylethyl 8-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate (ACI)
tert-Butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
tert-butyl 8-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
DB-078387
2-Boc-8-bromo-1,2,3,4-tetrahydroisoquinoline
EN300-3625958
DTXSID90732126
AKOS016008274
Tert-butyl8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
893566-75-1
N-Boc-8-Bromo-1,2,3,4-Tetrahydro-isoquinoline
CS-W007057
DS-4259
MFCD08752230
t-Butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
SCHEMBL588285

MDL Number

MFCD08752230

Customs Code

2933499090

FAQ

What is Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS: 893566-75-1)?

Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS: 893566-75-1) is an organic compound with a molecular structure that includes a tert-butyl group, an 8-bromo substituent, and a 3,4-dihydroisoquinoline-2(1H)-carboxylate moiety. It is commonly used in pharmaceutical research and synthesis due to its unique chemical properties.

What are the main uses of Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS: 893566-75-1)?

Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS: 893566-75-1) is primarily used in medicinal chemistry and pharmaceutical research as a precursor for the synthesis of bioactive compounds. It also has potential applications in dye and pigment synthesis, and as a reagent in organic synthesis.

Is Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS: 893566-75-1) safe?

Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS: 893566-75-1) is generally safe when handled with appropriate precautions. However, it should be stored in a cool, dry place and away from flammable materials. Protective equipment such as gloves and goggles should be worn during handling to prevent skin and eye contact.

How should Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS: 893566-75-1) be stored?

Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS: 893566-75-1) should be stored in a tightly sealed container at room temperature, away from direct sunlight and heat sources. It is important to keep it in a dry environment and avoid exposure to moisture and air. The container should be labeled clearly with the CAS number and handling instructions.