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Basic Information
| CAS No.: | 790304-84-6 |
|---|---|
| Name: | Isoquinoline, 6-(1-methylethyl)- (9CI) |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
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| Formula: | C12H13 N |
| Molecular Weight: | 171.242 |
| Synonyms: | 6-Isopropylisoquinoline |
| Density: | 1.026±0.06 g/cm3(Predicted) |
| Melting Point: | 44-45 °C |
| Boiling Point: | 284.1±9.0 °C(Predicted) |
| PSA: | 12.89000 |
| LogP: | 3.35820 |
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Synthetic route
- 34784-05-9
6-bromo-isoquinoline
- 1068-55-9
isopropylmagnesium chloride
- 790304-84-6
6-isopropylisoquinoline
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: isopropylmagnesium chloride With zinc(II) chloride In tetrahydrofuran at 0℃; for 1.5h; Inert atmosphere; Stage #2: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran for 0.25h; Stage #3: 6-bromo-isoquinoline In tetrahydrofuran for 12h; | 75% |
- 790304-84-6
6-isopropylisoquinoline
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: N-[(4-isopropylphenyl)methylene]-2,2-dimethoxyethanamine With sulfuric acid at 140℃; for 0.333333h; Stage #2: With sodium hydroxide In water | 15% |
| With sulfuric acid at 100℃; for 0.5h; |
- 790304-84-6
6-isopropylisoquinoline
- 1609-47-8
diethyl dicarbonate
- 27491-70-9, 28447-24-7, 25411-73-8
dimethyl diazomethylphosphonate
Conditions
| Conditions | Yield |
|---|---|
| With (R)-6,6’-bis(3',4',5'-trifluoro-2,6-dimethyl[1,1'-biphenyl]-4-yl)-1,1'-spirobiindane-7,7'-diyl phosphate In toluene at -30℃; for 56h; Inert atmosphere; Molecular sieve; enantioselective reaction; | 97% |
...Expand
- 790304-84-6
6-isopropylisoquinoline
- 935542-80-6
6-isopropyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: 6-isopropylisoquinoline With hydrogen; acetic acid; platinum(IV) oxide for 72h; Stage #2: With hydrogenchloride In 1,4-dioxane | 95% |
Conditions
| Conditions | Yield |
|---|---|
| With (R)-6,6’-bis((4-(tert-butyl)-2-methylphenyl))-1,1'-spirobiindane-7,7'-diyl phosphate In toluene at -20℃; for 88h; Inert atmosphere; Molecular sieve; enantioselective reaction; | 78% |
...Expand
- 790304-84-6
6-isopropylisoquinoline
Conditions
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; acetic acid at 80℃; for 12h; | 60% |
- 790304-84-6
6-isopropylisoquinoline
- 13716-46-6
triethylsilyloxydiethyl phosphonic ester
- 17341-93-4
2,2,2-Trichloroethyl chloroformate
Conditions
| Conditions | Yield |
|---|---|
| With 1-((S)-1-(N-benzyl-N-methylcarbamoyl)-2,2-dimethylpropyl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea In toluene at -50℃; for 72h; Overall yield = 87 %; enantioselective reaction; | A n/a B n/a |
...Expand
- 790304-84-6
6-isopropylisoquinoline
- 630422-59-2
1-chloro-6-isopropylisoquinoline
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: acetic acid; dihydrogen peroxide / 12 h / 80 °C 2: trichlorophosphate / 6 h / 50 °C View Scheme |
- 790304-84-6
6-isopropylisoquinoline
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: acetic acid; dihydrogen peroxide / 12 h / 80 °C 2.1: trichlorophosphate / 6 h / 50 °C 3.1: potassium carbonate / tetrahydrofuran / 0.5 h / Inert atmosphere 3.2: 12 h / 80 °C / Inert atmosphere View Scheme |
- 790304-84-6
6-isopropylisoquinoline
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: acetic acid; dihydrogen peroxide / 12 h / 80 °C 2.1: trichlorophosphate / 6 h / 50 °C 3.1: potassium carbonate / tetrahydrofuran / 0.5 h / Inert atmosphere 3.2: 12 h / 80 °C / Inert atmosphere View Scheme |
