1-Phenyl-3,4-dihydroisoquinoline supplier

Name
1-Phenyl-3,4-dihydroisoquinoline
EINECS
CAS No. 52250-50-7
Article Data75
CAS DataBase
Density 1.07 g/cm³
Solubility
Melting Point 174 °C
Formula C₁₅H₁₃N
Boiling Point 326.5 °C at 760 mmHg
Molecular Weight 207.275
Flash Point 143.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Dihydro-1-phenylisoquinoline;
PSA 12.36000
LogP 2.51570

Synthetic route

: 60943-13-7
N-(2-phenethyl)benzimidoyl chloride

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With tin(IV) chloride In chloroform for 100h;	97%

: 3278-14-6
N-phenethylbenzamide

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With 2-chloropyridine; trifluoromethylsulfonic anhydride In dichloromethane at -78 - 45℃; Bischler-Napieralski reaction; Inert atmosphere;	95%
With polyphosphoric acid at 180 - 200℃;	95%
With phosphorus pentoxide; trichlorophosphate In 5,5-dimethyl-1,3-cyclohexadiene Bischler-Napieralski Reaction; Reflux;	92%

: 22990-19-8
1-phenyl-1,2,3,4-tetrahydroisoquinoline

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With N,N-dimethyl-formamide at 100℃;	94%
With potassium phosphate tribasic trihydrate; 5%-palladium/activated carbon; oxygen In acetonitrile at 60℃; Reagent/catalyst; Solvent; Green chemistry; chemoselective reaction;	86%
With sulfur In pyridine 1.) 3 h, 100 deg C, 2.) 12 h, r.t.;	40%

: 1-phenyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With sodium hydroxide In water; dimethyl sulfoxide at 70℃; for 1.5h; regiospecific reaction;	91%

: 22990-19-8
1-phenyl-1,2,3,4-tetrahydroisoquinoline

A: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

B: 22990-19-8, 96719-89-0, 118864-75-8
(S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

Conditions

Conditions	Yield
With hydrogenchloride; borane-ammonia complex In aq. phosphate buffer at 37℃; pH=7.8;	A n/a B 90%

: 86448-84-2
N-oxy phenyl-1 dihydro-3,4-isoquinoleine

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With sodium hydroxide; sodium hydrogen telluride In ethanol for 18h; Heating; at pH 10-11;	88%

: 180272-45-1
(R)-(-)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With dimethyl sulfoxide at 100℃; for 24h; Solvent; Temperature; Schlenk technique; Green chemistry; chemoselective reaction;	87%
Multi-step reaction with 2 steps 1: trichloroisocyanuric acid / dichloromethane / 1.5 h / 3 - 5 °C 2: potassium hydroxide / methanol / 1 h / 20 °C View Scheme
With hydrogenchloride; oxygen In aq. phosphate buffer at 37℃; pH=7.8;
With air In N,N-dimethyl-formamide at 100℃; for 24h; Schlenk technique; Green chemistry;

: 22990-19-8
1-phenyl-1,2,3,4-tetrahydroisoquinoline

A: 3297-72-1
1-phenylisoquinoline

B: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With potassium phosphate tribasic trihydrate; palladium on activated charcoal; oxygen In acetonitrile at 60℃; for 17h; Solvent; Temperature; Reagent/catalyst;	A n/a B 86%
With air In N,N-dimethyl-formamide at 100℃; for 24h; Temperature; Solvent; Concentration; Schlenk technique; Green chemistry;	A n/a B 83%
With sodium carbonate In ethyl acetate at 120℃; for 24h; Sealed tube; Green chemistry; Overall yield = 99 %;	A 22% B 77%

: 1-phenyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline

A: 3297-72-1
1-phenylisoquinoline

B: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With sodium hydroxide In water; dimethyl sulfoxide at 125℃; for 2h; Inert atmosphere;	A 9% B 83%

: 14157-05-2
1-(methylsulfanyl)-3,4-dihydroisoquinoline

: 98-80-6
phenylboronic acid

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); copper(I) thiophene-2-carboxylate In tetrahydrofuran for 0.75h; Inert atmosphere; Reflux;	78%

: 60-12-8
2-phenylethanol

: 100-47-0
benzonitrile

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With 2-fluoropyridine; trifluoromethylsulfonic anhydride In 1,2-dichloro-ethane at 0 - 80℃; for 12.5h;	75%

: 3278-14-6
N-phenethylbenzamide

A: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

B: 103162-83-0
N-Benzoyl-N.N'-diphenaethyl-benzamidin

Conditions

Conditions	Yield
With trichlorophosphate In 1,2-dichloro-benzene at 140 - 150℃; for 0.05h; Irradiation; Yields of byproduct given;	A 72% B n/a
With trichlorophosphate In 1,2-dichloro-benzene at 140 - 150℃; for 0.05h; microwave irradiation, other solvent, other time;	A 72% B n/a
With trichlorophosphate In toluene Irradiation;

: 6552-60-9
3,4-dihydro-2H-isoquinoline-1-thione

: 98-80-6
phenylboronic acid

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); copper(I) thiophene-2-carboxylate In tetrahydrofuran for 0.75h; Inert atmosphere; Reflux;	66%

: 98-95-3
nitrobenzene

: 22990-19-8
1-phenyl-1,2,3,4-tetrahydroisoquinoline

A: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

B: 62-53-3
aniline

Conditions

Conditions	Yield
With nickel-nitrogen-doped carbon framework In water at 145℃; for 18h; Inert atmosphere; Sealed tube; Green chemistry;	A 60% B 62%

...Expand

: 22990-19-8
1-phenyl-1,2,3,4-tetrahydroisoquinoline

: 99-55-8
2-methyl-5-nitroaniline

A: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

B: 95-80-7
4-methylbenzene-1,3-diamine

Conditions

Conditions	Yield
With nickel-nitrogen-doped carbon framework In water at 145℃; for 18h; Inert atmosphere; Sealed tube; Green chemistry;	A 50% B 50%

...Expand

: 14157-05-2
1-(methylsulfanyl)-3,4-dihydroisoquinoline

: 4612-26-4
1,4-Phenyldiboronic acid

A: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

B: 1,1'-benzene-1,4-diyldi-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); copper(I) thiophene-2-carboxylate In tetrahydrofuran Inert atmosphere; Reflux;	A 30% B 23%

...Expand

: 54448-36-1
[2-(trifluoromethylsulfonyloxy)ethyl]benzene

: 100-47-0
benzonitrile

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
In 1,2-dichloro-ethane at 80℃; for 12h;	29%

: 55174-20-4
N-phenethyl-benzamidine; hydrochloride

: 98-95-3
nitrobenzene

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With trichlorophosphate

: 622-24-2
2-phenylethyl chloride

: 7646-78-8
tin(IV) chloride

: 100-47-0
benzonitrile

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

...Expand

: 7446-70-0
aluminium trichloride

: 3278-14-6
N-phenethylbenzamide

ligroine: ligroine

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
man zersetzt mit Eiswasser;

...Expand

: 56-23-5
tetrachloromethane

: 3278-14-6
N-phenethylbenzamide

P2O5: P2O5

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

...Expand

: 98-88-4
benzoyl chloride

(η-2,5-Ph2C4H2N)(Ph3P)2ReH2: (η-2,5-Ph2C4H2N)(Ph3P)2ReH2

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 83.3 percent / Et3N / CH2Cl2 / 4 h / 20 °C 2: 82.4 percent / P2O5; POCl3 / xylene / 3 h / Heating View Scheme

: 64-04-0
phenethylamine

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 83.3 percent / Et3N / CH2Cl2 / 4 h / 20 °C 2: 82.4 percent / P2O5; POCl3 / xylene / 3 h / Heating View Scheme
Multi-step reaction with 2 steps 1: 92 percent / 10percent aq. NaOH / CH2Cl2 / 0.25 h 2: 1 g / POCl3, P2O5 / 2 h / Heating View Scheme
Multi-step reaction with 4 steps 1: 91.5 percent / 15percent sodium hydroxide / H2O / 1 h / 0 °C 2: 94 percent / phosphorus pentachloride / benzene / 1 h / 0 °C 3: 96 percent / 1 h / 50 °C / 0.1 Torr 4: 97 percent / stannic chloride / CHCl3 / 100 h View Scheme

: 98-88-4
benzoyl chloride

6-t-butyl-12-p-tolyl-5,6,7,12-tetrahydrodibenz[c,f][1,5]azastibocine: 6-t-butyl-12-p-tolyl-5,6,7,12-tetrahydrodibenz[c,f][1,5]azastibocine

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: phosphorus oxychloride View Scheme

: 64-04-0
phenethylamine

4-[Ph2(AcO)2Bi]-C6H4-OCH2-polystyrene cross-linked with divinylbenzene: 4-[Ph2(AcO)2Bi]-C6H4-OCH2-polystyrene cross-linked with divinylbenzene

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: phosphorus oxychloride View Scheme

: 3741-66-0
Ethyl benzoyl carbonate

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dimethylformamide / 20 - 60 °C 2: POCl3; P2O5 / xylene / 130 °C View Scheme

: 65-85-0
benzoic acid

/PPFKE123-1965/: /PPFKE123-1965/

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Et3N / dimethylformamide / 0.5 h / cooling 2: dimethylformamide / 20 - 60 °C 3: POCl3; P2O5 / xylene / 130 °C View Scheme

: 98-88-4
benzoyl chloride

(S)-2-chloro-butyric acid: (S)-2-chloro-butyric acid

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 92 percent / 10percent aq. NaOH / CH2Cl2 / 0.25 h 2: 1 g / POCl3, P2O5 / 2 h / Heating View Scheme

: 3230-65-7
3,4-dihydroisoquinoline

β-phenethylamino-malonic acid bis-β-phenethylamine: β-phenethylamino-malonic acid bis-β-phenethylamine

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: 1.) NaHCO3, tert-butyl hypochlorite, 2.) KO2, 18-crown-6 ether / 1.) ether, 10 deg C, 2.) ether, 4.5 h View Scheme

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 22990-19-8
1-phenyl-1,2,3,4-tetrahydroisoquinoline

Conditions

Conditions	Yield
With C42H64Cl4Ir2N6O4S2; H-Gly-NH2 In dimethyl sulfoxide at 30 - 50℃; for 18.25h; pH=7.8; Reagent/catalyst;	99%
With methanol; sodium tetrahydroborate at 25℃; for 2.5h;	99.2%
With sodium tetrahydroborate In methanol at 25℃; for 2.5h;	99.2%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 22990-19-8, 96719-89-0, 118864-75-8
(S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; C42H46FeP2; hydrogen bromide; hydrogen In tetrahydrofuran; water at 30℃; under 38002.6 Torr; for 12h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent; Pressure; Schlenk technique; Autoclave; enantioselective reaction;	99%
With (S)-diopRuCl2(R)-p-Me-BIMAH; potassium tert-butylate; hydrogen In ethanol at 25 - 35℃; under 22801.5 Torr; Reagent/catalyst; Autoclave;	95%
With C27H29N3O6; trifluoroacetic acid In toluene at 30℃; for 24h; Reagent/catalyst; Temperature;	89%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 2570-01-6
2,3-diphenylcyclopropen-1-thione

: 71611-98-8
2,3,10b-Triphenyl-1-thioxo-1,5,6,10b-tetrahydropyrrolo<2.1-a>isochinolin

Conditions

Conditions	Yield
In 1,2-dimethoxyethane at 20℃; for 15h;	95%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 180272-45-1
(R)-(-)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

Conditions

Conditions	Yield
Stage #1: 1-phenyl-3,4-dihydroisoquinoline With N-Bromosuccinimide; bis(1,5-cyclooctadiene)diiridium(I) dichloride; sodium carbonate; (+)-(R)-[2,3,2',3'-tetrahydro-5,5'-bi(1,4-benzodioxin)-6,6'-diyl]bis(diphenylphosphane) In 1,2-dichloro-ethane at 20℃; for 0.166667h; Stage #2: With hydrogen In 1,2-dichloro-ethane at 30℃; under 25858.1 Torr; for 24h; enantioselective reaction;	94%
With N-Bromosuccinimide; bis(1,5-cyclooctadiene)diiridium(I) dichloride; hydrogen; sodium carbonate; (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl In 1,2-dichloro-ethane at 30℃; under 25858.1 Torr; for 24h; Glovebox; enantioselective reaction;	94%
With N-Bromosuccinimide; chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; sodium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In 1,2-dichloro-ethane at 30℃; under 25858.1 Torr; for 24h; Glovebox; enantioselective reaction;	94%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 98-59-9
p-toluenesulfonyl chloride

: 220936-57-2
(R)-(+)-2-(4-methylphenylsulfonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; (R)-3,5-diMe-Synphos; hydrogen; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In 1,4-dioxane at 40℃; under 7500.75 Torr; for 18h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	94%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 68-11-1
mercaptoacetic acid

: 1547397-90-9
10b-phenyl-5,6-dihydro-2H-thiazolo[2,3-a]isoquinolin-3-(10bH)-one

Conditions

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; chloroform at 20℃; for 1h;	93%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 6229-00-1
triphenylsilylacetylene

: 79-22-1
methyl chloroformate

: (S)-methyl 1-phenyl-1-((triphenylsilyl)ethynyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

Conditions

Conditions	Yield
With copper(l) iodide; N-ethyl-N,N-diisopropylamine; 2,6-bis[(4R)-5,5-dihydro-4-phenyl-2-oxazolyl]pyridine In chloroform at 0 - 20℃; for 24h; Inert atmosphere; Sealed tube; enantioselective reaction;	91%

...Expand

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 4559-70-0
Diphenylphosphine oxide

: (2-(3,4-dihydroisoquinolin-1-yl)phenyl)diphenylphosphine oxide

Conditions

Conditions	Yield
With potassium hexafluorophosphate; [Cp*Rh(OAc)2] In methanol at 65℃; Electrochemical reaction;	89%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 75-03-6
ethyl iodide

: 1-Phenyl-2-ethyl-3,4-dihydroisoquinolinium iodide

Conditions

Conditions	Yield
In acetonitrile for 1h; Heating;	88.5%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 100-39-0
benzyl bromide

: 1-phenyl-2-benzyl-3,4-dihydroisoquinolinium bromide

Conditions

Conditions	Yield
In acetonitrile for 1h; Heating;	88.3%
In acetonitrile for 8h; Reflux;	84%
In acetonitrile

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 2966-50-9
silver trifluoroacetate

: 501-65-5
diphenyl acetylene

: C29H22N(1+)*C2F3O2(1-)

Conditions

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper diacetate In ethanol at 80℃; for 0.5h;	88%
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper diacetate In ethanol at 80℃; for 0.5h; Inert atmosphere;	88%

...Expand

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 886-38-4
diphenylcyclopropenone

: 71611-93-3
2,3,10b-Triphenyl-1-oxo-1,5,6,10b-tetrahydropyrrolo<2.1-a>isochinolin

Conditions

Conditions	Yield
In ethanol for 1h; Heating;	87%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 1942-46-7
5-decyne

: C25H30N(1+)*C2F3O2(1-)

Conditions

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper diacetate; silver trifluoroacetate In ethanol for 40h; Reflux; Green chemistry; regioselective reaction;	85%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 74-88-4
methyl iodide

: 69311-06-4
2-methyl-1-phenyl-3,4-dihydroisoquinolinium iodide

Conditions

Conditions	Yield
In toluene for 3h; Heating;	84%
In acetonitrile for 1h; Heating;	75.5%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 108-24-7
acetic anhydride

: 1408083-08-8
2-(3,4-dihydroisoquinolin-1-yl)phenyl acetate

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; palladium diacetate In 1,2-dichloro-ethane at 80℃; for 3h;	82%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 4702-13-0
N-phthaloylglycine

: 96142-53-9
2-(2-Oxo-9b-phenyl-1,4,5,9b-tetrahydro-2H-azeto[2,1-a]isoquinolin-1-yl)-isoindole-1,3-dione

Conditions

Conditions	Yield
With N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride; triethylamine In dichloromethane at 20℃; for 8h;	80%

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 140-29-4
phenylacetonitrile

: 2-phenyl-1-(1-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)ethan-1-one

Conditions

Conditions	Yield
Stage #1: 1-phenyl-3,4-dihydroisoquinoline; phenylacetonitrile With manganese; chloro-trimethyl-silane; bis(cyclopentadienyl)titanium(IV) diphenoxide; triethylamine hydrochloride In tetrahydrofuran at 60℃; for 48h; Schlenk technique; Inert atmosphere; Stage #2: With hydrogenchloride; water In tetrahydrofuran; diethyl ether; dichloromethane Cooling; regioselective reaction;	78%

: 67-56-1
methanol

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 2570-01-6
2,3-diphenylcyclopropen-1-thione

: 71612-04-9
2-Methoxy-3,4,11b-triphenyl-7,11b-dihydro-2H,6H-<1.3>thiazino<2.3-a>isochinolin

Conditions

Conditions	Yield
Heating;	76%
for 2h; Heating;

...Expand

: 67-56-1
methanol

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

: 803636-11-5
1-(2'-methoxylphenyl)-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; palladium diacetate for 3h; Reflux;	76%

1-Phenyl-3,4-dihydroisoquinoline Specification

The 1-Phenyl-3,4-dihydroisoquinoline, with CAS registry number 52250-50-7, belongs to the following product category: Dihydroisoquinolines. It has the systematic name of 1-phenyl-3,4-dihydroisoquinoline. And the chemical formula of this chemical is C₁₅H₁₃N.

Physical properties of 1-Phenyl-3,4-dihydroisoquinoline: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 239.3; (6)ACD/BCF (pH 7.4): 376.19; (7)ACD/KOC (pH 5.5): 1540.64; (8)ACD/KOC (pH 7.4): 2422.01; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.36 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 67.08 cm³; (15)Molar Volume: 193.2 cm³; (16)Polarizability: 26.59×10^-24cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Enthalpy of Vaporization: 54.61 kJ/mol; (19)Vapour Pressure: 0.000408 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\2=C(\c1c(cccc1)CC/2)c3ccccc3
(2)InChI: InChI=1/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2
(3)InChIKey: CTOQBSUYGFNMJX-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2
(5)Std. InChIKey: CTOQBSUYGFNMJX-UHFFFAOYSA-N

Product Name

1-Phenyl-3,4-dihydroisoquinoline

Synthetic route

1-Phenyl-3,4-dihydroisoquinoline Specification

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