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171049-41-5

7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER is a chemical compound with the molecular formula C15H20N2O2. It is an ester derivative of 7-amino-3,4-dihydroisoquinoline-2-carboxylic acid, known for its role as a versatile intermediate in organic synthesis and a precursor in the production of various pharmaceutical compounds.

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  • 171049-41-5 Structure

  • Basic information

    1. Product Name: 7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
    2. Synonyms: TERT-BUTYL 7-AMINO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE;7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER;7-AMINO-2-BOC-1,2,3,4-TETRAHYDROISOQUINOLINE;2-Boc-7-amino-1,2,3,4-tetrahydroisoquinoline;tert-butyl 7-aMino-1,2,3,4-tetrahydroisoquinoline-2-carboxylate;ethyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate;7-Amino-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline
    3. CAS NO:171049-41-5
    4. Molecular Formula: C14H20N2O2
    5. Molecular Weight: 248.32
    6. EINECS: -0
    7. Product Categories: pharmacetical
    8. Mol File: 171049-41-5.mol

  • Chemical Properties

    1. Melting Point: 59-61 °C
    2. Boiling Point: 394.736 °C at 760 mmHg
    3. Flash Point: 192.53 °C
    4. Appearance: /
    5. Density: 1.145 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.569
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    9. Solubility: N/A
    10. PKA: 4.81±0.20(Predicted)
    11. CAS DataBase Reference: 7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER(171049-41-5)
    13. EPA Substance Registry System: 7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER(171049-41-5)

  • Safety Data

    1. Hazard Codes: Xn,N
    2. Statements: 22-50
    3. Safety Statements: 61
    4. RIDADR: UN2811
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 171049-41-5(Hazardous Substances Data)

171049-41-5 Usage

Uses

Used in Pharmaceutical Synthesis:
7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER is used as a building block for the synthesis of pharmaceutical compounds due to its ability to serve as a precursor in the production of various drugs and pharmaceuticals.
Used in Organic Chemistry:
In the field of organic chemistry, 7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER is used as a versatile intermediate, taking advantage of the stability and protection provided by the tert-butyl ester group to the carboxylic acid functionality.
Used in Medicinal Chemistry and Drug Development:
7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER may have potential applications in medicinal chemistry and drug development, where its unique structure and properties can be leveraged to create new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 171049-41-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,1,0,4 and 9 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 171049-41:
(8*1)+(7*7)+(6*1)+(5*0)+(4*4)+(3*9)+(2*4)+(1*1)=115
115 % 10 = 5
So 171049-41-5 is a valid CAS Registry Number.
InChI:InChI=1/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3

171049-41-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 7-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate

1.2 Other means of identification

Product number -
Other names 7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:171049-41-5 SDS

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