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Tert-butyl 6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate is a carboxylate ester chemical compound with the molecular formula C16H23NO3. It features a tert-butyl group and a methoxy group attached to a dihydroisoquinoline ring, making it a valuable building block for the synthesis of various bioactive molecules and drugs.

860436-57-3

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860436-57-3 Usage

Uses

Used in Pharmaceutical Industry:
Tert-butyl 6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate is used as a building block for the synthesis of various bioactive molecules and drugs due to its unique structure and properties.
Used in Coordination Chemistry:
Tert-butyl 6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate is used as a ligand in coordination chemistry, contributing to the development of new coordination compounds with potential applications.
Used in Preparation of Functional Materials:
Tert-butyl 6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate is used as a precursor for the preparation of functional materials, showcasing its versatility in different fields.

Check Digit Verification of cas no

The CAS Registry Mumber 860436-57-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,0,4,3 and 6 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 860436-57:
(8*8)+(7*6)+(6*0)+(5*4)+(4*3)+(3*6)+(2*5)+(1*7)=173
173 % 10 = 3
So 860436-57-3 is a valid CAS Registry Number.
InChI:InChI=1/C15H21NO3/c1-15(2,3)19-14(17)16-8-7-11-9-13(18-4)6-5-12(11)10-16/h5-6,9H,7-8,10H2,1-4H3

860436-57-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

1.2 Other means of identification

Product number -
Other names -

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:860436-57-3 SDS

860436-57-3Relevant academic research and scientific papers

DDQ-promoted mild and efficient metal-free oxidative α-cyanation of N-acyl/sulfonyl 1,2,3,4-tetrahydroisoquinolines

Kim, Hong Pyo,Yu, Heesun,Kim, Hyoungsu,Kim, Seok-Ho,Lee, Dongjoo

, (2018/12/13)

A mild and highly efficient metal-free oxidative α-cyanation of N-acyl/sulfonyl 1,2,3,4-tetrahydroisoquinolines (THIQs) has been accomplished at an ambient temperature via DDQ oxidation and subsequent trapping of N-acyl/sulfonyl iminium ions with (n-Bu)s

Pyrimidine derivatives Anaplastic lymphoma kinase inhibitors

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Paragraph 0294-0296, (2017/07/23)

The invention belongs to the field of a medical technology and specifically relates to a pyrimidine derivative type anaplastic lymphoma kinase inhibitor as shown in the general formula (I) or its stereisomer, or its pharmaceutically acceptable salt, ester or solvate, wherein R1, R2, R3, R4, R5 and A ring are as defined in the specification. The invention also relates to a preparation method of the compounds, a pharmaceutic preparation and a pharmaceutical composition containing the compounds and an application of the compound or its stereisomer, or its pharmaceutically acceptable salt, ester or solvate in the preparation of medicines for treating and/or preventing diseases related to anaplastic lymphoma kinase-mediated cancer.

Synthesis of 3-Benzazepines by Metal-Free Oxidative C–H Bond Functionalization–Ring Expansion Tandem Reaction

Gini, Andrea,Bamberger, Julia,Luis-Barrera, Javier,Zurro, Mercedes,Mas-Ballesté, Rubén,Alemán, José,Manche?o, Olga García

supporting information, p. 4049 - 4056 (2016/12/30)

A metal-free synthesis of biologically important benzazepines is achieved through a single synthetic operation involving an oxidative C–H bond functionalization and ring expansion with diazomethanes as key reagent. This represents a new, strong methodology for the straightforward construction of the seven-ring N-heterocyclic structures under mild conditions using a 2,2,6,6-tetramethylpiperidine 1-oxyl (TEMPO) oxoammonium salt as oxidant. Moderate to good yields are achieved from simple, readily available tetrahydroisoquinolines, and this methodology has been further successfully applied for the synthesis of the 3-benzazepine drug Lorcaserin. A possible mechanistic pathway for the ring expansion step, comprising the extrusion of nitrogen in a concerted asynchronic process, is proposed based on both mechanistic proof and density function theory (DFT) calculations. (Figure presented.).

BICYCLIC INHIBITORS OF ALK

-

, (2012/08/07)

The present invention relates to compounds of formula (1) or pharmaceutical acceptable salts, wherein R1, X, Y, Z, A, B, G1, and n are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as ALK and methods of treating diseases such as cancer.

BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES

-

, (2012/08/07)

Compounds of formula (I) or pharmaceutical acceptable salts are provided, wherein X1~X5, R1~R3, A, B, Z and n are defined in the description. And compositions containing said compounds, and the uses for inhibitors of kinases such as ALK, and the uses for treating cancer thereof are provided.

SAR studies of capsazepinoid bronchodilators. Part 1: The importance of the catechol moiety and aspects of the B-ring structure

Dalence-Guzman, Maria F.,Berglund, Magnus,Skogvall, Staffan,Sterner, Olov

, p. 2499 - 2512 (2008/09/21)

Capsazepine as well as its derivatives and analogues are general inhibitors of constriction of human small airways. From a systematic variation of the capsazepine structure, divided into four regions, SARs were established. This part concerns the catechol moiety of the A-ring as well as the 2,3,4,5-tetrahydro-1H-2-azepine moiety (the B-ring) of capsazepine. It is revealed that a conformational constrain (as a fused ring) is important and that compounds with a six-membered B-ring (as a 1,2,3,4-tetrahydroisoquinoline) in general are more potent than the corresponding isoindoline, 2,3,4,5-tetrahydro-1H-2-benzazepine and 2,3,4,5-tetrahydro-1H-3-benzazepine derivatives.

Bronchorelaxing agents based on indol- and isoquinoline derivatives

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Page/Page column 25-26, (2010/11/25)

A compound of formula (I) and its acid addition salts, wherein R1-FIj are H, lower (CrC6) alkyl; halogen; NR5R6, wherein R5, R6 are H, lower alkyl, C2-C6 acyl, SO2R7, wherein R7 is lower alkyl, CF3, aryl, substituted aryl; CN; COR8, wherein R8 is H, OH, lower alkyl, lower alkoxy; SO2R9, wherein R9 is OR10, wherein R10 is H, lower alkyl or NRnR12, wherein R11 and R12 is H or lower alkyl; ORi3, wherein R13 is H, lower alkyl, C2-C6 acyl, C1-C8 carboxy, C1-C8 carbamoyl; X is O or S; A is H, lower alkyl; B is C1-C18 alkyl optionally substituted; M is zero or 1; with the proviso that no more than three of R1-R4 are H, for treating and preventing bronchoconstructive pulmonary disease.

Bronchorelaxing compounds

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Page/Page column 11, (2010/02/13)

A compound of the general formula (I) including its pharmaceutically acceptable acid addition salts wherein A is CHR9, wherein R9 is H, C1-C6 alkyl; n is 1-3; B is CHR10, wherein R10 is H, C1-C6 alkyl; m is 1 or 2; D is O or S or optionally NR16, wherein R16 is H, C1-C6 alkyl or C2-C6 acyl; E is CR11R12 or NR13, wherein R11 and R12 are, independent of each other, H or C1-C6 alkyl, R13 is H or C1-C6 alkyl; F is C1-C18 alkyl which may be mono- or di-unsaturated and/or substituted, is useful in treating and preventing pulmonary disease characterized by bronchoconstriction. Also disclosed are pharmaceutical compositions comprising the compound and methods for their manufacture.

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