Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate

Basic Information

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CAS Number

885270-54-2

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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

331.6°C at 760 mmHg

Density

1.122

Flash Point

154.3°C

Refractive Index

1.56

SMILES

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CC(C)(C)OC(=O)NC1=CC2=C(CCNC2)C=C1

InChI

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

InChIKey

VTTOWYHROSNYPM-UHFFFAOYSA-N

LogP

2.6793000000000005

Topological Polar Surface Area

50.36 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

299

Synonyms & References

English

tert-Butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate
Carbamic acid,(1,2,3,4-tetrahydro-7-isoquinolinyl)-, 1,1-dimethylethyl ester (9CI)
tert-Butyl (1,2,3,4-tetrahydroisoquinolin-7-yl)carbamate
tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamate
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL)-CARBAMIC ACID TERT-BUTYL ESTER
7-(tert-butoxycarbonylamino)-1,2,3,4-tetrahydroisoquinoline
885270-54-2
TERT-BUTYL 1,2,3,4-TETRAHYDROISOQUINOLIN-7-YLCARBAMATE
CS-0342421
DB-361587
MB05637
Carbamic acid,(1,2,3,4-tetrahydro-7-isoquinolinyl)-,1,1-dimethylethyl ester(9ci)
DS-11997
MFCD08234694
J-524829
tert-Butyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamate
tert-butyl1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate
DTXSID80653770
EN300-340716
AKOS016006266
TERT-BUTYL N-(1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)CARBAMATE

MDL Number

MFCD08234694

Customs Code

2933499090

FAQ

What are the physical and chemical properties of Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate (CAS: 885270-54-2)?

Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate is a white crystalline solid with a molecular weight of approximately 315.46 g/mol. It has low water solubility but is more soluble in organic solvents such as dimethylformamide (DMF) and dimethylsulfoxide (DMSO). The compound is moderately reactive, particularly towards nucleophiles and bases, making it prone to deamination under basic conditions.

How is Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate (CAS: 885270-54-2) typically synthesized?

Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate is typically synthesized via a multi-step process involving the condensation of tert-butyl isonicotinate with 1,2,3,4-tetrahydroisoquinoline under basic conditions. The reaction is catalyzed by an appropriate base such as triethylamine. The yield is generally around 70%, and the product is isolated by recrystallization from solvents like DMF.

What industries use Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate (CAS: 885270-54-2)?

Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various bioactive compounds. It also finds applications in the polymer industry for the development of functional polymers and in the sensor industry for the production of gas sensors.

What precautions should be taken when handling Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate (CAS: 885270-54-2)?

When handling Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to airborne particles. Spills should be cleaned up with appropriate absorbent materials and disposed of in accordance with local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.