Didemethylclomipramine

Base Information

Chemical Name:Didemethylclomipramine
CAS No.:62724-32-7
Molecular Formula:C₁₇H₁₉ClN₂
Molecular Weight:286.804
Hs Code.:
UNII:8R3702101D
DSSTox Substance ID:DTXSID70211808
Nikkaji Number:J523.855B
Wikidata:Q27270917
ChEMBL ID:CHEMBL3612724
Mol file:62724-32-7.mol

Synonyms:didemethylclomipramine;N-didemthyl-chlorimipramine

Suppliers and Price of Didemethylclomipramine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
N,N-Didemethylchlorimipramine
10mg
$ 460.00

TRC
N,N-Didemethylchlorimipramine
100mg
$ 1320.00

TRC
N,N-Didemethylchlorimipramine
10mg
$ 165.00

Total 4 raw suppliers

Chemical Property of Didemethylclomipramine

Chemical Property:

Vapor Pressure:8.74E-08mmHg at 25°C
Boiling Point:435.5°C at 760 mmHg
Flash Point:217.2°C
PSA：29.26000
Density:1.172g/cm³
LogP:4.69080
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:286.1236763
Heavy Atom Count:20
Complexity:309

Purity/Quality:

99% ^*data from raw suppliers

N,N-Didemethylchlorimipramine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCN
Uses N,N-Didemethylchlorimipramine is the metabolite of Clomipramine Hydrochloride (C587050), which is a Serotonin reuptake inhibitor, antidepressant, and antiobsessional agent.

Technology Process of Didemethylclomipramine

There total 6 articles about Didemethylclomipramine 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: 85.0%

: 3-azido-1-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propan-1-one

: 62724-32-7
Didemethylclomipramine

Guidance literature:: 3-azido-1-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propan-1-one; With borane-THF; In tetrahydrofuran; at 0 - 70 ℃; for 5h; Sealed tube;

With hydrogenchloride; In tetrahydrofuran; water; at 0 - 70 ℃; for 1.5h;

Reference yield: 40.0%

: 1423077-06-8
3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-3-oxopropanenitrile

: 62724-32-7
Didemethylclomipramine

Guidance literature:: 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-3-oxopropanenitrile; With borane-THF; In tetrahydrofuran; at 0 - 70 ℃; for 5h; Sealed tube;

With hydrogenchloride; In tetrahydrofuran; water; at 0 - 70 ℃; for 1.5h;
DOI:10.1016/j.bmc.2015.07.007

Reference yield:

: 32943-25-2
3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepine

: 62724-32-7
Didemethylclomipramine

Guidance literature:: Multi-step reaction with 3 steps

1.1: toluene / 1 h / 100 °C

2.1: N,N-dimethyl-formamide / 14 h / 0 - 25 °C

3.1: borane-THF / tetrahydrofuran / 5 h / 0 - 70 °C / Sealed tube

3.2: 1.5 h / 0 - 70 °C

With borane-THF; In tetrahydrofuran; N,N-dimethyl-formamide; toluene;
DOI:10.1016/j.bmc.2015.07.007