2-Hydroxyimipramine

Base Information

• Chemical Name: 2-Hydroxyimipramine
• CAS No.: 303-70-8
• Molecular Formula: C19H24 N2 O
• Molecular Weight: 296.412
• Hs Code.: 2933990090
• UNII: S0L1IZR63V
• DSSTox Substance ID: DTXSID60184390
• Nikkaji Number: J11.605J
• Wikidata: Q27216123
• ChEMBL ID: CHEMBL539456
• Mol file: 303-70-8.mol

Synonyms:2-hydroxyimipramine;2-hydroxyimipramine hydrochloride

Chemical Property of 2-Hydroxyimipramine

Chemical Property:

• Vapor Pressure: 2.03E-09mmHg at 25°C
• Melting Point: 130-132°C
• Refractive Index: 1.5600 (estimate)
• Boiling Point: 469°Cat760mmHg
• PKA: 10.20±0.20(Predicted)
• Flash Point: 239.5°C
• PSA: 26.71000
• Density: 1.107g/cm³
• LogP: 3.64560
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 296.188863393
• Heavy Atom Count: 22
• Complexity: 346

Purity/Quality:

98%Min ^*data from raw suppliers

2-Hydroxy imipramine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O
• Uses: A metabolite of Imipramine A metabolite of Imipramine.

Technology Process of 2-Hydroxyimipramine

There total 3 articles about 2-Hydroxyimipramine 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:

Imipramine hydrochloride (113-52-0) → desipramine (50-47-5) + 9,10-dihydrodibenzazepine (494-19-9) + 10-Hydroxyimipramine (796-28-1) + 2-hydroxyimipramine (303-70-8)

Guidance literature:

In water; for 480h; Further byproducts given; Ambient temperature; C_. blakesleeana (ATCC 8688a); further microbial agents;

DOI:10.1002/jps.2600700209

Reference yield:

Imipramine hydrochloride (113-52-0) → 9,10-dihydrodibenzazepine (494-19-9) + 10-Hydroxyimipramine (796-28-1) + 2-hydroxyimipramine (303-70-8) + imipramine N-oxide (6829-98-7)

Guidance literature:

In water; N,N-dimethyl-formamide; for 480h; Further byproducts given; Ambient temperature; C_. blakesleeana (ATCC 8688a); further microbial agents;

DOI:10.1002/jps.2600700209

Reference yield:

Imipramine hydrochloride (113-52-0) → desipramine (50-47-5) + 2-hydroxyimipramine (303-70-8)

Guidance literature:

With NADP; cDNA-expressed human recombinant CYP₁A₂; In phosphate buffer; at 37 ℃; for 0.25h; pH=7.4; Further Variations:; concentration; Enzyme kinetics;

upstream raw materials:

Imipramine hydrochloride

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