(3R)-7-hydroxy-?N-((1S)-1-{[(3R,4R)-4- (3-hydroxyphenyl)- 3,4-dimethylpiperidin- 1-yl]methyl}- 2-methylpropyl)- 1,2,3,4-， tetrahydroisoquinoline- 3-， (hydrochloride) supplier

Name
JDTic (2HCl)
EINECS
CAS No. 785835-79-2
Article Data2
CAS DataBase
Density
Solubility
Melting Point
Formula C28H40ClN3O3
Boiling Point
Molecular Weight 465.636
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3R)-1,2,3,4-Tetrahydro-7-hydroxy-N-[(1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl]-3-isoquinolinecarboxamide hydrochloride; JDTic 2HCl
PSA 88.32000
LogP 6.26360

Synthetic route

: 441003-76-5
tert-butyl-(3R)-7-hydroxy-3-{[((1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)amino]carbonyl}-3,4-dihydrohydro-2(1H)-isoquinolinecarboxylate

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane
With trifluoroacetic acid In dichloromethane at -20 - 20℃;

: 220122-59-8
N-<(2'S)-amino-3'-methylbutyl>-(3R,4R)-4-(3-hydroxyphenyl)piperidine

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: BOP; Et3N / tetrahydrofuran / 2 h / 20 °C 2: TFA / CH2Cl2 / -20 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: BOP; TEA / tetrahydrofuran 2: TFA / CH2Cl2 View Scheme

: 214630-00-9
(3R)-2-(tert-butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: BOP; Et3N / tetrahydrofuran / 2 h / 20 °C 2: TFA / CH2Cl2 / -20 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: BOP; TEA / tetrahydrofuran 2: TFA / CH2Cl2 View Scheme

: 1118-68-9
dimethylaminoacetic acid

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

A 3-[1-(2S-Amino-3-methylbutyl)-3R,4R-dimethyl-4-piperidinyllphenol: 3-[1-(2S-Amino-3-methylbutyl)-3R,4R-dimethyl-4-piperidinyllphenol

B: (3R)-2-(N,N-dimethylglycyl)-7-hydroxy-N-((1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Conditions

Conditions	Yield
In chloroform	A 86% B n/a

...Expand

: 312-68-5
3-fluoropropyl tosylate

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

: (3R)-2-(3-fluoropropyl)-1,2,3,4-tetrahydro-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-3-methylbutan-2-yl)isoquinoline-3-carboxamide

Conditions

Conditions	Yield
In acetonitrile for 72h; Inert atmosphere; Reflux;	37%
In acetonitrile for 72h; Inert atmosphere; Reflux;	37%

: 383-50-6
2-fluoroethyl tosylate

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

: (R)-2-(2-fluoroethyl)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Conditions

Conditions	Yield
In acetonitrile for 72h; Inert atmosphere; Reflux;	35%
In acetonitrile for 72h; Inert atmosphere; Reflux;	35%

: 50-00-0
formaldehyd

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

: RTI-5989-97

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 1.5h;

: 1118-68-9
dimethylaminoacetic acid

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

: (3R)-2-(N,N-dimethylglycyl)-7-hydroxy-N-((1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In tetrahydrofuran at 20℃; for 2h;

: 64-19-7
acetic acid

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

: (3R)-2-acetyl-7-hydroxy-N-((1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In tetrahydrofuran at 20℃; for 2h;

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

: (3R)-3-{[((1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)amino]methyl}-1,2,3,4-tetrahydro-7-isoquinolinol

Conditions

Conditions	Yield
With dimethylsulfide borane complex In tetrahydrofuran Heating;	6 mg

: 50-00-0
formaldehyd

Na(OAc)3 BH: Na(OAc)3 BH

CH2Cl2:THF: CH2Cl2:THF

: 785835-79-2
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

: (3S)-7-hydroxy-N-((1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-methyl}-2-methylpropyl)-2-methyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Conditions

Conditions	Yield
In chloroform

...Expand

Product Name

JDTic (2HCl)

Synthetic route

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