1,2,3,4-Tetrahydroisoquinolin-6-ol hydrobromide

Base Information

• Chemical Name: 1,2,3,4-Tetrahydroisoquinolin-6-ol hydrobromide
• CAS No.: 59839-23-5
• Molecular Formula: C9H12BrNO
• Molecular Weight: 230.104
• Hs Code.: 2933499090
• ChEMBL ID: CHEMBL1766967
• DSSTox Substance ID: DTXSID70538284
• Mol file: 59839-23-5.mol

Synonyms:59839-23-5;1,2,3,4-tetrahydroisoquinolin-6-ol hydrobromide;1,2,3,4-Tetrahydroisoquinolin-6-ol hydrobrimide;1,2,3,4-Tetrahydro-isoquinolin-6-ol hydrobromide;6-Hydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide;1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide;1,2,3,4-Tetrahydro isoquinolin-6-ol hydrobromide;MFCD08437641;1,2,3,4-Tetrahydro-6-isoquinolin-6-ol Hydrobromide;1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL HBR;6-Isoquinolinol, 1,2,3,4-tetrahydro-, hydrobromide;1,2,3,4-tetrahydro-6-hydroxy-isoquinoline-hydrobromide;SCHEMBL587893;6-HYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE HBR;CHEMBL1766967;AMY4043;DTXSID70538284;USVPGYXADKFDAI-UHFFFAOYSA-N;CS-M3353;AKOS015833957;SB37865;SY025463;1,2,3,4-tetrahydroisoquinolin-6-ol HBr;A21312;1,2,3,4-Tetrahydroisoquinolin-6-olhydrobrimide;1,2,3,4-Tetrahydro-6-isoquinolinol hydrobromide;1,2,3,4-Tetrahydro-isoquinolin-6-ol;1,2,3,4-tetrahydro-6-hydroxyisoquinoline hydrobromide;1,2,3,4-tetrahydroisoquinolin-6-ol hydrobromide (1:1);1,2,3,4-tetrahydroisoquinolin-6-ol hydrobromic acid salt;1,2,3,4-Tetrahydroisoquinolin-6-ol hydrobromide, AldrichCPR;1,2,3,4-Tetrahydroisoquinolin-6-ol--hydrogen bromide (1/1)

Chemical Property of 1,2,3,4-Tetrahydroisoquinolin-6-ol hydrobromide

Chemical Property:

• Melting Point: 196.7-197.8℃
• PSA: 32.26000
• LogP: 2.32480
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 229.01023
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

98%Min ^*data from raw suppliers

1,2,3,4-Tetrahydro-6-isoquinolin-6-olHydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1C=C(C=C2)O.Br
• Uses: 1,2,3,4-Tetrahydro-6-isoquinolin-6-ol Hydrobromide is a chemical reagent used in the organic synthesis. Used in the preparation of androgen receptor modulators (SARMs) as well as steroidmimetic and chimeric microtubule disruptors.

Technology Process of 1,2,3,4-Tetrahydroisoquinolin-6-ol hydrobromide

There total 12 articles about 1,2,3,4-Tetrahydroisoquinolin-6-ol hydrobromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (57196-62-0) → 6-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide (59839-23-5)

Guidance literature:

With water; hydrogen bromide; for 5h; Reflux;

DOI:10.1021/jm3014103

Reference yield: 100.0%

tert-butyl 6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate (860436-57-3) → 6-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide (59839-23-5)

Guidance literature:

With hydrogen bromide; at 105 ℃; for 5h;

DOI:10.1016/j.bmc.2007.11.055

Reference yield: 100.0%

→ 6-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide (59839-23-5)

Guidance literature:

upstream raw materials:

6-methoxy-1,2,3,4-tetrahydro-isoquinoline

6-methoxy-1,2,3,4-tetrahydro-1-oxoisoquinoline

N-(methoxycarbonyl)-2-(3'-methoxyphenyl)ethylamine

2-(3-methoxyphenyl)-1-ethanamine

Downstream raw materials:

(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-methanone

N-tert-butoxycarbonyl-6-hydroxy-1,2,3,4-tetrahydroisoquinoline

C₂₈H₂₆N₄O₂

C₂₄H₂₅N₃O₃

Refernces

• 1、 -. "MONOCYCLIC B-LACTAM COMPOUND FOR TREATING BACTERIAL INFECTION". Paragraph 0110. . Retrieved 2020/12/16.
• 2、 Zhao, Chao,Choi, You Hee,Khadka, Daulat Bikram,Jin, Yifeng,Lee, Kwang-Youl,Cho, Won-Jea. "Design and synthesis of novel androgen receptor antagonists via molecular modeling". supporting information. p. 789 - 801. Retrieved 2016/05/24.