LWH-63 hydrochloride

Base Information

• Chemical Name: LWH-63 hydrochloride
• CAS No.: 276890-57-4
• Molecular Formula: C24H34 N4 O
• Molecular Weight: 394.56
• DSSTox Substance ID: DTXSID30582026
• Mol file: 276890-57-4.mol

Synonyms:LWH-63 hydrochloride;276890-57-4;4-(N-Ethyl-n-4-hydroxybutyl)amino-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine hydrochloride;NIH-3;DTXSID30582026;MFCD07784506;LWH-63 hydrochloride, >=98% (HPLC), solid;1049740-74-0;4-[ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol;hydrochloride;4-{Ethyl[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol--hydrogen chloride (1/1)

Chemical Property of LWH-63 hydrochloride

Chemical Property:

• PSA: 54.18000
• LogP: 5.67170
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ~10 mg/mL
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 430.2499394
• Heavy Atom Count: 30
• Complexity: 505

Purity/Quality:

97% ^*data from raw suppliers

LWH-63 hydrochloride ≥98% (HPLC), solid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CCCCO)C1=NC(=NC2=C1C(=C(N2C3=C(C=C(C=C3C)C)C)C)C)C.Cl

Technology Process of LWH-63 hydrochloride

There total 5 articles about LWH-63 hydrochloride 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: 80.0%

(Z)-4-[ethyl[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]but-2-en-1-ol (299949-01-2) → 4-[ethyll[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (276890-57-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 12h;

DOI:10.1002/jlcr.1082

Reference yield:

(Z)-4-ethylaminobut-2-en-1-ol (299948-98-4) → 4-[ethyll[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (276890-57-4)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylsulfoxide

2: 80 percent / hydrogen / Pd/C / ethanol / 12 h / 20 °C

With hydrogen; palladium on activated charcoal; In ethanol; dimethyl sulfoxide;

DOI:10.1002/jlcr.1082

Reference yield:

4-chloro-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine → 4-[ethyll[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (276890-57-4)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylsulfoxide

2: 80 percent / hydrogen / Pd/C / ethanol / 12 h / 20 °C

With hydrogen; palladium on activated charcoal; In ethanol; dimethyl sulfoxide;

DOI:10.1002/jlcr.1082

upstream raw materials:

4-(ethylamino)butan-1-ol

(Z)-4-[ethyl[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]but-2-en-1-ol

(Z)-4-ethylaminobut-2-en-1-ol

N-ethyl-4-hydroxybutanamide