4,7-Dimethyl-5,6-dihydroxytryptamine

Base Information

• Chemical Name: 4,7-Dimethyl-5,6-dihydroxytryptamine
• CAS No.: 97073-72-8
• Molecular Formula: C₄H₇N₃O*C₁₂H₁₆N₂O₂*H₂O₄S
• Molecular Weight: 431.47
• DSSTox Substance ID: DTXSID90242694
• Nikkaji Number: J293.047A
• Wikidata: Q83126500
• ChEMBL ID: CHEMBL1159821
• Mol file: 97073-72-8.mol

Synonyms:4,7-diMe-5,6-DHT;4,7-dimethyl-5,6-dihydroxytryptamine

Chemical Property of 4,7-Dimethyl-5,6-dihydroxytryptamine

Chemical Property:

• Vapor Pressure: 4.77E-09mmHg at 25°C
• Boiling Point: 459.1°Cat760mmHg
• Flash Point: 231.4°C
• PSA: 82.27000
• Density: 1.312g/cm³
• LogP: 2.39740
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CNC2=C(C(=C1O)O)C)CCN

Technology Process of 4,7-Dimethyl-5,6-dihydroxytryptamine

There total 3 articles about 4,7-Dimethyl-5,6-dihydroxytryptamine 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:

(5,6-Bis-benzyloxy-4,7-dimethyl-1H-indol-3-yl)-acetonitrile (97073-59-1) → 5,6-dihydroxy-4,7-dimethyltryptamine creatinine sulfate (97073-72-8)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether; benzene / 6 h / Heating

2: 1.) 1M H₂SO₄, H₂ / 1.) 10percent Pd/C / 1.) aq. EtOH, 40 psig, RT, 6 h, 2.) EtOH, H₂O

With lithium aluminium tetrahydride; sulfuric acid; hydrogen; palladium on activated charcoal; In diethyl ether; benzene;

DOI:10.1021/jm00147a027

Reference yield:

(5,6-Bis-benzyloxy-4,7-dimethyl-1H-indol-3-ylmethyl)-trimethyl-ammonium; iodide → 5,6-dihydroxy-4,7-dimethyltryptamine creatinine sulfate (97073-72-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 41 percent / dimethylformamide / 1 h / 75 °C / Heating

2: LiAlH₄ / diethyl ether; benzene / 6 h / Heating

3: 1.) 1M H₂SO₄, H₂ / 1.) 10percent Pd/C / 1.) aq. EtOH, 40 psig, RT, 6 h, 2.) EtOH, H₂O

With lithium aluminium tetrahydride; sulfuric acid; hydrogen; palladium on activated charcoal; In diethyl ether; N,N-dimethyl-formamide; benzene;

DOI:10.1021/jm00147a027

Reference yield:

creatinine (60-27-5) + 2-(5,6-Bis-benzyloxy-4,7-dimethyl-1H-indol-3-yl)-ethylamine (97073-62-6) → 5,6-dihydroxy-4,7-dimethyltryptamine creatinine sulfate (97073-72-8)

Guidance literature:

With sulfuric acid; hydrogen; palladium on activated charcoal; Yield given. Multistep reaction; 1.) aq. EtOH, 40 psig, RT, 6 h, 2.) EtOH, H₂O;

DOI:10.1021/jm00147a027

upstream raw materials:

creatinine

2-(5,6-Bis-benzyloxy-4,7-dimethyl-1H-indol-3-yl)-ethylamine

(5,6-Bis-benzyloxy-4,7-dimethyl-1H-indol-3-yl)-acetonitrile