7-Bromo-1,2,3,4-tetrahydroisoquinoline - CAS 17680-55-6

Name: 7-Bromo-1,2,3,4-tetrahydroisoquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013252
Product Name:	7-Bromo-1,2,3,4-tetrahydroisoquinoline
CAS:	17680-55-6
Synonyms:	7-bromo-1,2,3,4-tetrahydroisoquinoline; 7-bromo-1,2,3,4-tetrahydroisoquinoline

Technical Data

IUPAC Name:	7-bromo-1,2,3,4-tetrahydroisoquinoline
Description:	7-Bromo-1,2,3,4-tetrahydroisoquinoline (CAS# 17680-55-6) is an intermediate used to prepare (isoquinolinylsulfonyl)benzoic acids as inhibitors of type 5 71-β-hydroxysteroid dehydrogenase AKR1C3. It is also used in the synthesis of 2-aminooctahydrocyclopentalene-3a-carboxamides as potent CCR2 antagonists.
Molecular Weight:	212.09
Molecular Formula:	C9H10BrN
Canonical SMILES:	C1CNCC2=C1C=CC(=C2)Br
InChI:	InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
InChI Key:	OYODEQFZAJVROF-UHFFFAOYSA-N
Boiling Point:	282.908 °C at 760 mmHg
Density:	1.428 g/cm³
MDL:	MFCD06739047
LogP:	2.42360

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331
CN-112812061-A	N-aryl-1, 2,3, 4-tetrahydroisoquinoline-7-amine compound and application thereof	20191210
WO-2021093795-A1	Rock inhibitor, preparation method therefor and use thereof	20191115
CN-110483511-B	Synthetic method of quinazolinone polycyclic compound	20190909
CN-110294758-A	2- replaces 5,6- dihydro-pyrazolo [5,1- Î±] isoquinolin, derivative and its synthetic method	20190706

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
17126018	20070201	Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors	Bioorganic & medicinal chemistry

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.99966
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.99966
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2