6-Fluoro-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 6-Fluoro-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 224161-37-9
• Molecular Formula: C9H10FN
• Molecular Weight: 151.184
• European Community (EC) Number: 817-920-0
• DSSTox Substance ID: DTXSID50577338
• Nikkaji Number: J3.559.283K
• Wikidata: Q72477064
• Mol file: 224161-37-9.mol

Synonyms:6-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE;224161-37-9;6-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;ISOQUINOLINE, 6-FLUORO-1,2,3,4-TETRAHYDRO-;SCHEMBL330372;DTXSID50577338;IGFFEMNFESMQQW-UHFFFAOYSA-N;MFCD06739157;AKOS006222517;AB28734;BS-13546;AM20030383;CS-0171031;EN300-124372;A816186;J-014701;Z1198169933

Chemical Property of 6-Fluoro-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• Boiling Point: 227.55 °C at 760 mmHg
• Flash Point: 91.419 °C
• PSA: 12.03000
• Density: 1.108 g/cm³
• LogP: 1.80020
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.079727485
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

90.0%Min ^*data from raw suppliers

6-fluoro-1,2,3,4-tetrahydroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1C=C(C=C2)F

Technology Process of 6-Fluoro-1,2,3,4-tetrahydroisoquinoline

There total 8 articles about 6-Fluoro-1,2,3,4-tetrahydroisoquinoline 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: 66.0%

6-fluoro-3,4-dihydro-2H-isoquinolin-1-one (214045-84-8) → 6-fluoro-1,2,3,4-tetrahydroisoquinoline (224161-37-9)

Guidance literature:

6-fluoro-3,4-dihydro-2H-isoquinolin-1-one; With borane-THF; In methanol; at 70 ℃; for 2h;

With hydrogenchloride; In water; at 105 ℃; for 2h;

Reference yield: 58.0%

→ 6-fluoro-1,2,3,4-tetrahydroisoquinoline (224161-37-9)

Guidance literature:

With potassium carbonate; In methanol; water; at 20 ℃; for 5h;

Reference yield:

2-(3-Fluorophenyl)ethylamine (404-70-6) → 6-fluoro-1,2,3,4-tetrahydroisoquinoline (224161-37-9)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 1,4-dioxane / 100 °C

2.1: dichloromethane / 0.5 h / 20 °C

2.2: 3 h / 0 - 20 °C

3.1: sulfuric acid / methanol / 2 h / 90 °C

4.1: sodium tetrahydroborate; methanol / 0.17 h

With methanol; sodium tetrahydroborate; sulfuric acid; In 1,4-dioxane; methanol; dichloromethane;

upstream raw materials:

6-fluoro-3,4-dihydro-2H-isoquinolin-1-one

5-fluoro-1-indanone

2-(3-Fluorophenyl)ethylamine

6-fluoro-3,4-dihydroisoquinoline

Downstream raw materials:

N-(2-chloro-4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-6-(trifluoromethyl)phenyl)-3,3-dimethylbutanamide

N-ethyl-4-((4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-1,3,5-triazin-2-ylamino)methyl)-N-m-tolylbenzamide

6-fluoro-3,4-dihydroisoquinoline

Refernces

• 1、 -. "A multi-functional the anti-ahl tribulus sea is silent disease of the benzimidazole derivatives and its preparation method and application". Paragraph 0044; 0045; 0064; 0065. . Retrieved 2019/07/01.
• 2、 Xie, Lijuan,Lu, Cong,Jing, Dong,Ou, Xinrui,Zheng, Ke. "Metal-Free Synthesis of Polycyclic Quinazolinones Enabled by a (NH4)2S2O8-Promoted Intramolecular Oxidative Cyclization". supporting information. p. 3649 - 3653. Retrieved 2019/06/04.