Cas no 501441-90-3 (6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline)
6-Bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline is a versatile heterocyclic compound with a tetrahydroisoquinoline core structure, featuring a bromine substituent at the 6-position and a methyl group at the 1-position. This scaffold is of significant interest in medicinal chemistry and pharmaceutical research due to its potential as a building block for bioactive molecules, particularly in the development of central nervous system (CNS) agents and alkaloid-derived therapeutics. The bromine moiety offers a reactive handle for further functionalization via cross-coupling reactions, enhancing its utility in synthetic applications. Its well-defined structure and stability make it suitable for use in high-precision organic synthesis and drug discovery programs.
501441-90-3 structure
Product Name:6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
CAS No:501441-90-3
MF:C10H12BrN
MW:226.112981796265
CID:1566033
PubChem ID:59662590
Update Time:2025-10-18
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 6-bromo-1,2,3,4-tetrahydro-1-methyl-
- 6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
- JWPFGTSRERYDEW-UHFFFAOYSA-N
- AT22644
- DB-091058
- EN300-1720627
- 501441-90-3
- 6-Bromo-1-methyl-1,2,3,4-tetrahydro-isoquinoline
- SCHEMBL1010996
-
- Inchi： 1S/C10H12BrN/c1-7-10-3-2-9(11)6-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3
- InChI Key： JWPFGTSRERYDEW-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)CCNC2C
Computed Properties
- Exact Mass: 225.01536
- Monoisotopic Mass: 225.01531g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1720627-0.05g |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
501441-90-3 | 0.05g |
$1236.0 | 2023-09-20 | ||
| Enamine | EN300-1720627-0.1g |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
501441-90-3 | 0.1g |
$1295.0 | 2023-09-20 | ||
| Enamine | EN300-1720627-0.25g |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
501441-90-3 | 0.25g |
$1354.0 | 2023-09-20 | ||
| Enamine | EN300-1720627-0.5g |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
501441-90-3 | 0.5g |
$1412.0 | 2023-09-20 | ||
| Enamine | EN300-1720627-1.0g |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
501441-90-3 | 1g |
$1472.0 | 2023-05-26 | ||
| Enamine | EN300-1720627-2.5g |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
501441-90-3 | 2.5g |
$2884.0 | 2023-09-20 | ||
| Enamine | EN300-1720627-5.0g |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
501441-90-3 | 5g |
$4267.0 | 2023-05-26 | ||
| Enamine | EN300-1720627-10.0g |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
501441-90-3 | 10g |
$6328.0 | 2023-05-26 | ||
| Enamine | EN300-1720627-1g |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
501441-90-3 | 1g |
$1472.0 | 2023-09-20 | ||
| Enamine | EN300-1720627-5g |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
501441-90-3 | 5g |
$4267.0 | 2023-09-20 |
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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