8-Hydroxy-pipat

Base Information

• Chemical Name: 8-Hydroxy-pipat
• CAS No.: 159651-91-9
• Molecular Formula: C₁₆H₂₂INO
• Molecular Weight: 371.261
• UNII: CI98RA0M97
• Wikidata: Q27896432
• ChEMBL ID: CHEMBL284716
• Mol file: 159651-91-9.mol

Synonyms:8-hydroxy-2-(N-n-propyl-N-(3'-iodo-2'-propenyl)amino)tetralin;8-hydroxy-2-(N-n-propyl-N-(3'-iodo-2'-propenyl)amino)tetralin, 123I-labeled;8-hydroxy-2-(N-n-propyl-N-(3'-iodo-2'-propenyl)amino)tetralin, E-(+-)-isomer;8-hydroxy-2-(N-n-propyl-N-(3'-iodo-2'-propenyl)amino)tetralin, R-(E)-isomer;8-OH-PIPAT

Chemical Property of 8-Hydroxy-pipat

Chemical Property:

• Boiling Point: 602.1oC at 760 mmHg
• Flash Point: 317.9oC
• PSA: 98.07000
• LogP: 3.06580
• Storage Temp.: Desiccate at -20°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 371.07461
• Heavy Atom Count: 19
• Complexity: 295

Purity/Quality:

98%Min ^*data from raw suppliers

8-Hydroxy-PIPAToxalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CC=CI)C1CCC2=C(C1)C(=CC=C2)O
• Isomeric SMILES: CCCN(C/C=C/I)C1CCC2=C(C1)C(=CC=C2)O
• Uses: 8-Hydroxy-PIPAT oxalate is a high affinity SR-1A agonist.

Technology Process of 8-Hydroxy-pipat

There total 3 articles about 8-Hydroxy-pipat 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:

cis,trans-8-methoxy-2-amino>tetralin → [125I]-(+/-)-trans-8-OH-PIPAT (159651-91-9)

Guidance literature:

Multi-step reaction with 3 steps

1: iodine / CHCl₃ / Ambient temperature

2: 80 percent / K₂CO₃ / ethanol / 40 h / Heating

3: 1.) BBr₃, 2.) H₂O / 1.) CH₂Cl₂, RT, overnight, 2.) CH₂Cl₂, RT, 30 min

With water; iodine; boron tribromide; potassium carbonate; In ethanol; chloroform;

DOI:10.1021/jm00073a016

Reference yield:

(+/-)-trans-8-OMe-IPAT (151536-29-7) → [125I]-(+/-)-trans-8-OH-PIPAT (159651-91-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / K₂CO₃ / ethanol / 40 h / Heating

2: 1.) BBr₃, 2.) H₂O / 1.) CH₂Cl₂, RT, overnight, 2.) CH₂Cl₂, RT, 30 min

With water; boron tribromide; potassium carbonate; In ethanol;

DOI:10.1021/jm00073a016

Reference yield:

(R,S)-trans-8-methoxy-2-[N-propyl-N-(3'-iodo-2'-propenyl)amino]tetralin (159559-80-5) → [125I]-(+/-)-trans-8-OH-PIPAT (159651-91-9)

Guidance literature:

With water; boron tribromide; Yield given. Multistep reaction; 1.) CH₂Cl₂, RT, overnight, 2.) CH₂Cl₂, RT, 30 min;

DOI:10.1021/jm00073a016

upstream raw materials:

(R,S)-trans-8-methoxy-2-[N-propyl-N-(3'-iodo-2'-propenyl)amino]tetralin

(+/-)-trans-8-OMe-IPAT