1,2,3,4-tetrahydroisoquinolin-7-ol Hydrobromide

Base Information

• Chemical Name: 1,2,3,4-tetrahydroisoquinolin-7-ol Hydrobromide
• CAS No.: 110192-19-3
• Molecular Formula: C9H11NO.BrH
• Molecular Weight: 230.104
• European Community (EC) Number: 813-159-3
• DSSTox Substance ID: DTXSID50459105
• ChEMBL ID: CHEMBL1766968
• Mol file: 110192-19-3.mol

Synonyms:1,2,3,4-tetrahydroisoquinolin-7-ol Hydrobromide;110192-19-3;7-Hydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide;1,2,3,4-TETRAHYDROISOQUINOLIN-7-OL HBR;1,2,3,4-tetrahydroisoquinolin-7-ol;hydrobromide;SCHEMBL6190676;CHEMBL1766968;DTXSID50459105;FUYSRGWJKMHOMP-UHFFFAOYSA-N;AKOS026743696;AS-49968;CS-0451091;EN300-70326;O10335;1,2,3,4-tetrahydroisoquinolin-7-olHydrobromide

Chemical Property of 1,2,3,4-tetrahydroisoquinolin-7-ol Hydrobromide

Chemical Property:

• 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:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CNCC2=C1C=CC(=C2)O.Br

Technology Process of 1,2,3,4-tetrahydroisoquinolin-7-ol Hydrobromide

There total 13 articles about 1,2,3,4-tetrahydroisoquinolin-7-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%

tert-butyl 7-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate (215453-91-1) → 7-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide (110192-19-3)

Guidance literature:

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

DOI:10.1016/j.bmc.2007.11.055

Reference yield: 100.0%

→ 7-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide (110192-19-3)

Guidance literature:

Reference yield: 83.0%

7-methoxy-1,2,3,4-tetrahydroisoquinoline (43207-78-9) → 7-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide (110192-19-3)

Guidance literature:

With hydrogen bromide; at 120 ℃; for 3h;

DOI:10.1021/jm00395a006

upstream raw materials:

7-methoxy-1,2,3,4-tetrahydroisoquinoline

7-methoxyisoquinoline

3-methoxy-benzaldehyde

7-methoxy-3,4-dihydro-2H-isoquinolin-1-one

Downstream raw materials:

7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester

N,N'-di-tert-butoxycarbonyl-7-[1-(2-nitrophenylmethyl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinolin-2-carboxamidine

benzyl 4-[2-(N,N'-di-tert-butoxycarbonylamidin)-1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl]piperidine-1-carboxylate

benzyl 7-[4-ethoxycarbonyl-1-(pyridin-4-yl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinolin-2-carboxylate

Refernces

• 1、 Dalence-Guzman, Maria F.,Berglund, Magnus,Skogvall, Staffan,Sterner, Olov. "SAR studies of capsazepinoid bronchodilators. Part 1: The importance of the catechol moiety and aspects of the B-ring structure". . p. 2499 - 2512. Retrieved 2008/09/21.
• 2、 Ueno, Hiroshi,Yokota, Katsuyuki,Hoshi, Jun-Ichi,Yasue, Katsutaka,Hayashi, Mikio,Hase, Yasunori,Uchida, Itsuo,Aisaka, Kazuo,Katoh, Susumu,Cho, Hidetsura. "Synthesis and structure-activity relationships of novel selective factor Xa inhibitors with a tetrahydroisoquinoline ring". . p. 3586 - 3604. Retrieved 2007/10/03.