[3H]-(+/-)-Metaraminol

Base Information

• Chemical Name: [3H]-(+/-)-Metaraminol
• CAS No.: 61-59-6
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.208
• DSSTox Substance ID: DTXSID201224748
• Mol file: 61-59-6.mol

Synonyms:[3H]-(+/-)-Metaraminol

Chemical Property of [3H]-(+/-)-Metaraminol

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(C1=CC(=CC=C1)O)O)N
• Isomeric SMILES: C[C@H]([C@H](C1=CC(=CC=C1)O)O)N

Technology Process of [3H]-(+/-)-Metaraminol

There total 18 articles about [3H]-(+/-)-Metaraminol 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: 98.0%

(1R,2S)-N-(benzyloxycarbonyl)-2-amino-1-(3-benzooxyphenyl)-1-propanol → (1R,2S)-metaraminol (54-49-9,61-59-6,4956-27-8,7619-17-2,19289-78-2,21480-43-3,21480-44-4,46064-19-1,73952-03-1)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; dichloromethane; under 760.051 Torr;

Reference yield: 79.7%

metaraminol bitartrate → (1R,2S)-metaraminol (54-49-9,61-59-6,4956-27-8,7619-17-2,19289-78-2,21480-43-3,21480-44-4,46064-19-1,73952-03-1)

Guidance literature:

With ammonia; water; at 20 ℃; for 0.5h;

Reference yield:

3-(1-hydroxy-2-nitropropyl)phenol → [3H]-(+/-)-Metaraminol (61-59-6) + (1R,2S)-metaraminol (54-49-9,61-59-6,4956-27-8,7619-17-2,19289-78-2,21480-43-3,21480-44-4,46064-19-1,73952-03-1)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethanol; at 27 - 35 ℃; for 43h; Temperature; Optical yield = 65 %ee;

upstream raw materials:

meta-hydroxybenzaldehyde

(R)-1-hydroxy-1-(3-hydroxyphenyl)propan-2-one

(+/-)-1-hydroxy-1-(3-hydroxy-phenyl)-acetone oxime

(1RS:2SR)-2-amino-1-(3-benzyloxy-phenyl)-propanol-⁽¹⁾

Downstream raw materials:

(1R,2R)-2-amino-1-(3-hydroxyphenyl)propan-1-ol

(1R,2S)-2-amino-1-(3-hydroxy-4-iodophenyl)-1-propanol

(1R,2S)-2-(tert-butoxycarbonylamino)-1-(3-hydroxyphenyl)-1-propanol

(1R,2S)-2-N,N-dibenzylamino-1-(3-benzyloxy-4-methylphenyl)-1-propanol