Dimoxamine

Base Information

• Chemical Name: Dimoxamine
• CAS No.: 52842-59-8
• Molecular Formula: C13H21 N O2
• Molecular Weight: 223.31
• Hs Code.: 2922199090
• UNII: 09426ZTO78
• DSSTox Substance ID: DTXSID30967314
• Nikkaji Number: J10.121D
• Wikipedia: Ariadne_(psychedelic)
• ChEMBL ID: CHEMBL433696
• Mol file: 52842-59-8.mol

Synonyms:1-(4-methyl)-2,5-dimethoxyphenyl-2-aminobutane;2-amino-1-(2,5-dimethoxy-4-methylphenyl)butane;BL 3912A;BL-3912A;dimoxamine;dimoxamine hydrochloride;dimoxamine hydrochloride, (+-)-isomer;dimoxamine hydrochloride, (R)-isomer;dimoxamine hydrochloride, (S)-isomer;dimoxamine, (+-)-isomer;dimoxamine, (S)-isomer;MDPA-1

Chemical Property of Dimoxamine

Chemical Property:

• Vapor Pressure: 0.00019mmHg at 25°C
• Boiling Point: 328.4°Cat760mmHg
• PKA: 9.83±0.10(Predicted)
• Flash Point: 166.8°C
• PSA: 44.48000
• Density: 0.998g/cm³
• LogP: 2.99230
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 223.157228913
• Heavy Atom Count: 16
• Complexity: 198

Purity/Quality:

98% ^*data from raw suppliers

DIMOXAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC1=C(C=C(C(=C1)OC)C)OC)N
• Isomeric SMILES: CC[C@H](CC1=C(C=C(C(=C1)OC)C)OC)N

Technology Process of Dimoxamine

There total 5 articles about Dimoxamine 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:

1,4-Dimethoxy-2-methyl-5-((E)-2-nitro-but-1-enyl)-benzene (52807-48-4) → (R)-1-(2,5-Dimethoxy-4-methyl-benzyl)-propylamine (52842-59-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jm00234a010

Reference yield:

2,5-dimethoxy-4-methylbenzaldehyde (4925-88-6) → (R)-1-(2,5-Dimethoxy-4-methyl-benzyl)-propylamine (52842-59-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₄OAc / acetic acid

2: LiAlH₄ / tetrahydrofuran

With lithium aluminium tetrahydride; ammonium acetate; In tetrahydrofuran; acetic acid;

DOI:10.1021/jm00234a010

Reference yield:

2,5-dimethoxy toluene (24599-58-4) → (R)-1-(2,5-Dimethoxy-4-methyl-benzyl)-propylamine (52842-59-8)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) POCl₃, (ii) /BRN= 2045336/

2: NH₄OAc / acetic acid

3: LiAlH₄ / tetrahydrofuran

With lithium aluminium tetrahydride; ammonium acetate; In tetrahydrofuran; acetic acid;

DOI:10.1021/jm00234a010

upstream raw materials:

1,4-Dimethoxy-2-methyl-5-((E)-2-nitro-but-1-enyl)-benzene

[(R)-1-(2,5-Dimethoxy-4-methyl-benzyl)-propyl]-((R)-1-phenyl-ethyl)-amine

2,5-dimethoxy-4-methylbenzaldehyde

2,5-dimethoxy toluene