25B-NBOMe

Base Information

• Chemical Name: 25B-NBOMe
• CAS No.: 1026511-90-9
• Molecular Formula: C18H22BrNO3
• Molecular Weight: 380.282
• UNII: S6NAA81PHK
• DSSTox Substance ID: DTXSID50907974
• Nikkaji Number: J3.369.871B
• Wikipedia: 25B-NBOMe
• Wikidata: Q4632126
• ChEMBL ID: CHEMBL3590188
• Mol file: 1026511-90-9.mol

Synonyms:2-(4-bromo-2,5-dimethoxyphenyl)-N-((2-methoxyphenyl)methyl)ethanamine;25B-NBOMe;4-bromo-2,5-dimethoxy-N-((2-methoxyphenyl)methyl)benzeneethanamine

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Chemical Property of 25B-NBOMe

Chemical Property:

• Boiling Point: 463.293 °C at 760 mmHg
• PKA: 8.88±0.20(Predicted)
• Flash Point: 233.992 °C
• PSA: 39.72000
• Density: 1.283 g/cm³
• LogP: 4.24060
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 379.07831
• Heavy Atom Count: 23
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)Br)OC
• Uses: 4-Bromo-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzeneethanamine is a derivative of 2,5-Dimethoxy-4-bromophenethylamine (D469650). 4-Bromo-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzeneethanamine is a potent partial agonist for the 5HT2A receptor.

Technology Process of 25B-NBOMe

There total 7 articles about 25B-NBOMe 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:

4-bromo-2,5-dimethoxybenzaldehyde (31558-41-5) → 2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (1026511-90-9)

Guidance literature:

Multi-step reaction with 4 steps

1: propylene diammonium diacetate / isopropyl alcohol / 20 °C / Reflux

2: diisobutylaluminium hydride / tetrahydrofuran / 20 °C / Reflux

3: triethylamine / ethanol / Molecular sieve; Reflux

4: sodium tetrahydroborate / ethanol / 20 °C

With sodium tetrahydroborate; diisobutylaluminium hydride; triethylamine; In tetrahydrofuran; ethanol; isopropyl alcohol; 1: |Henry Nitro Aldol Condensation;

DOI:10.1021/acschemneuro.6b00265

Reference yield:

C18H20BrNO3 → 2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (1026511-90-9)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1021/cn400216u

Reference yield:

1-bromo-2,5-dimethoxybenzene (25245-34-5) → 2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (1026511-90-9)

Guidance literature:

Multi-step reaction with 5 steps

1: titanium tetrachloride / dichloromethane / -10 - 0 °C

2: propylene diammonium diacetate / isopropyl alcohol / 20 °C / Reflux

3: diisobutylaluminium hydride / tetrahydrofuran / 20 °C / Reflux

4: triethylamine / ethanol / Molecular sieve; Reflux

5: sodium tetrahydroborate / ethanol / 20 °C

With sodium tetrahydroborate; titanium tetrachloride; diisobutylaluminium hydride; triethylamine; In tetrahydrofuran; ethanol; dichloromethane; isopropyl alcohol; 1: |Rieche Formylation / 2: |Henry Nitro Aldol Condensation;

DOI:10.1021/acschemneuro.6b00265

upstream raw materials:

ortho-anisaldehyde

1-bromo-2,5-dimethoxybenzene

4-bromo-2,5-dimethoxybenzaldehyde

4-bromo-2,5-dimethoxy-β-nitrostyrene