JDTic (2HCl)

Base Information

• Chemical Name: JDTic (2HCl)
• CAS No.: 785835-79-2
• Molecular Formula: C28H40ClN3O3
• Molecular Weight: 465.636
• Mol file: 785835-79-2.mol

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

Chemical Property of JDTic (2HCl)

Chemical Property:

• PSA: 88.32000
• LogP: 6.26360
• Solubility.: Soluble in DMSO

Purity/Quality:

97% ^*data from raw suppliers

JDTic(dihydrochloride) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of JDTic (2HCl)

There total 3 articles about JDTic (2HCl) 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:

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 (441003-76-5) → (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 (785835-79-2,361444-66-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jm015521r

Reference yield:

N-<(2'S)-amino-3'-methylbutyl>-(3R,4R)-4-(3-hydroxyphenyl)piperidine (220122-59-8) → (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 (785835-79-2,361444-66-8)

Guidance literature:

Multi-step reaction with 2 steps

1: BOP; Et₃N / tetrahydrofuran / 2 h / 20 °C

2: TFA / CH₂Cl₂ / -20 - 20 °C

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm030094y

Reference yield:

(3R)-2-(tert-butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (214630-00-9) → (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 (785835-79-2,361444-66-8)

Guidance literature:

Multi-step reaction with 2 steps

1: BOP; Et₃N / tetrahydrofuran / 2 h / 20 °C

2: TFA / CH₂Cl₂ / -20 - 20 °C

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm030094y

upstream raw materials:

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

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

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