Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate

Basic Information

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CAS Number

14028-68-3

Molecular Formula

C15H21NO4

Molecular Weight

279.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Melting Point

78-79 ºC

Boiling Point

391.202°C at 760 mmHg

SMILES

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CCOC(=O)CC1C2=CC(=C(C=C2CCN1)OC)OC

InChI

InChI=1S/C15H21NO4/c1-4-20-15(17)9-12-11-8-14(19-3)13(18-2)7-10(11)5-6-16-12/h7-8,12,16H,4-6,9H2,1-3H3

InChIKey

RLUWHGCQILMZMC-UHFFFAOYSA-N

LogP

1.8437999999999999

Topological Polar Surface Area

56.790000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

323

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

1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester
14028-68-3
DTXSID60456322
CS-0061619
1-Carboethoxymethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Oprea1_249540
AMY14577
DS-11266
FT-0649355
Ethyl 2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolyl)acetate
SY104888
Ethyl [(1S)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate
FT-0771457
EN300-7405338
Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
MFCD00185560
ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate
AKOS015843398
Ethyl2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
SCHEMBL3382275
1,2,3,4-tetrahydro-6,7-dimethoxy-1-Isoquinolineacetic acid ethyl ester
1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-1-aceticacid ethyl ester
1,2,3,4-tetrahydro-6,7-diMethoxy-, ethyl ester
Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)
Ethyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-acetate
1-Ethoxycarbonylmethyl-6,7-Dimethoxy -1,2,3,4-Tetrahydro-Isoquinoline
Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-diMethoxy-, ethyl ester
1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl este
PubChem21068
HT745

MDL Number

MFCD00185560

Customs Code

2933499090

FAQ

What is Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate (CAS: 14028-68-3)?

Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate is a synthetic compound with the CAS number 14028-68-3. It has a molecular formula of C13H16O3 and is used in pharmaceuticals and fragrance industries for its unique olfactory and pharmacological properties.

What are the main uses of Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate (CAS: 14028-68-3)?

Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate is primarily used as a fragrance ingredient in perfumes and as an intermediate in the synthesis of other compounds. It also finds applications in the pharmaceutical industry for its pharmacological effects.

Is Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate (CAS: 14028-68-3) safe?

Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate is generally considered safe for use in fragrances and pharmaceuticals when used according to guidelines. However, it is important to follow proper handling procedures and use appropriate personal protective equipment to avoid skin and respiratory exposure.

How should Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate (CAS: 14028-68-3) be stored?

Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent evaporation and contamination. Proper storage conditions are crucial to maintain its quality and stability.