7-Nitro-1,2,3,4-tetrahydroisoquinoline - CAS 42923-79-5

Catalog:	BB025281
Product Name:	7-Nitro-1,2,3,4-tetrahydroisoquinoline
CAS:	42923-79-5
Synonyms:	7-nitro-1,2,3,4-tetrahydroisoquinoline; 7-nitro-1,2,3,4-tetrahydroisoquinoline

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	7-nitro-1,2,3,4-tetrahydroisoquinoline
Description:	7-Nitro-1,2,3,4-tetrahydroisoquinoline (CAS# 42923-79-5) is a useful research chemical.
Molecular Weight:	178.19
Molecular Formula:	C9H10N2O2
Canonical SMILES:	C1CNCC2=C1C=CC(=C2)[N+](=O)[O-]
InChI:	InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2
InChI Key:	YPRWYZSUBZXORL-UHFFFAOYSA-N
Boiling Point:	319.6 °C at 760 mmHg
Density:	1.236 g/cm³
MDL:	MFCD04973400
LogP:	2.09250

Publication Number	Title	Priority Date
CN-113150009-A	Heterocyclic compounds with programmed cell necrosis pathway inhibition activity and application thereof	20200107
WO-2021138694-A1	Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same	20200102
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
CZ-2019349-A3	Nitrogen heterocyclic compounds containing 2 - ((1E) -hydroxyimino) methyl) -3-hydroxypyridine, their use as medicaments, pharmaceutical preparations	20190605
CN-111621805-A	Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation	20190227

PMID	Publication Date	Title	Journal
18024134	20080101	Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase	Bioorganic & medicinal chemistry
17845018	20071004	Enzyme adaptation to inhibitor binding: a cryptic binding site in phenylethanolamine N-methyltransferase	Journal of medicinal chemistry
17126018	20070201	Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors	Bioorganic & medicinal chemistry
16279783	20051117	Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase	Journal of medicinal chemistry
15686930	20050215	Exploring the active site of phenylethanolamine N-methyltransferase with 3-hydroxyethyl- and 3-hydroxypropyl-7-substituted-1,2,3,4-tetrahydroisoquinolines	Bioorganic & medicinal chemistry letters

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[13676-02-3]
2-Chloro-6-methoxyquinoline
[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline
[4965-34-8]
7-Bromo-2-methylquinoline
[4038-97-5]
7-Methoxy-4-(piperazin-1-yl)quinoline

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.074227566
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.074227566
Rotatable Bond Count:	0
Topological Polar Surface Area:	57.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2