UR-144 N-5-hydroxypentyl

Base Information

• Chemical Name: UR-144 N-5-hydroxypentyl
• CAS No.: 895155-95-0
• Molecular Formula: C₂₁H₂₉NO₂
• Molecular Weight: 327.467
• European Community (EC) Number: 806-131-7
• UNII: 4MC625LVID
• ChEMBL ID: CHEMBL571131
• DSSTox Substance ID: DTXSID801024750
• Pharos Ligand ID: 86UHN5F727P6
• Wikidata: Q27260122
• Mol file: 895155-95-0.mol

Synonyms:UR-144 N-5-hydroxypentyl;895155-95-0;UR-144 N-(5-Hydroxypentyl);5-Hydroxy-UR-144;UNII-4MC625LVID;4MC625LVID;UR-144 N-(5-hydroxypentyl)metabolite;[1-(5-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;CHEMBL571131;Methanone, (1-(5-hydroxypentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)-;UR-144 N-(5-hydroxypentyl) metabolite;SCHEMBL2079402;DTXSID801024750;BDBM50303531;NSC795048;NSC-795048;NS00097846;Q27260122;UR-144 N-(5-hydroxypentyl) metabolite, 0.1mg/ml in Methanol;UR-144 N-(5-hydroxypentyl) metabolite, 1mg/ml in Methanol;(1-(5-Hydroxypentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)-methanone;(1-(5-Hydroxypentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Chemical Property of UR-144 N-5-hydroxypentyl

Chemical Property:

• PSA: 42.23000
• LogP: 4.66880
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 327.219829168
• Heavy Atom Count: 24
• Complexity: 457

Purity/Quality:

99% ^*data from raw suppliers

UR-144N-(5-Hydroxypentyl) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCCO)C

Technology Process of UR-144 N-5-hydroxypentyl

There total 5 articles about UR-144 N-5-hydroxypentyl 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: 71.0%

(1-(5-(benzyloxy)-pentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone → (1-(5-hydroxypentyl)-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (895155-95-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; under 760.051 Torr;

DOI:10.1021/jm901214q

Reference yield:

2,2,3,3-tetramethylcyclopropane-1-carboxylic acid (15641-58-4) → (1-(5-hydroxypentyl)-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (895155-95-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: thionyl chloride / 2 h / Reflux

2.1: ethylmagnesium bromide / tetrahydrofuran; dichloromethane / 21 °C

2.2: 0.5 h

2.3: 6 h / 21 °C

3.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0 - 20 °C

3.2: 0 - 45 °C

4.1: palladium 10% on activated carbon; hydrogen / ethanol / 760.05 Torr

With thionyl chloride; palladium 10% on activated carbon; ethylmagnesium bromide; hydrogen; sodium hydride; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide; mineral oil;

DOI:10.1021/jm901214q

Reference yield:

2,2,3,3-tetramethylcyclopropanecarbonyl chloride (24303-61-5) → (1-(5-hydroxypentyl)-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (895155-95-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: ethylmagnesium bromide / tetrahydrofuran; dichloromethane / 21 °C

1.2: 0.5 h

1.3: 6 h / 21 °C

2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0 - 20 °C

2.2: 0 - 45 °C

3.1: palladium 10% on activated carbon; hydrogen / ethanol / 760.05 Torr

With palladium 10% on activated carbon; ethylmagnesium bromide; hydrogen; sodium hydride; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide; mineral oil;

DOI:10.1021/jm901214q

upstream raw materials:

(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

5-(benzyloxy)pentyl methanesulfonate

2,2,3,3-tetramethylcyclopropane-1-carboxylic acid

2,2,3,3-tetramethylcyclopropanecarbonyl chloride

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