N-(2-(N-Methyl-3,4-dichlorophenylacetamido)-2-phenylethyl)pyrrolidine

Base Information

Chemical Name:N-(2-(N-Methyl-3,4-dichlorophenylacetamido)-2-phenylethyl)pyrrolidine
CAS No.:115199-84-3
Molecular Formula:C21H24 Cl2 N2 O . Cl H
Molecular Weight:427.801
Hs Code.:
UNII:CT5E310AJL
DSSTox Substance ID:DTXSID60921646
Wikipedia:ICI-199,441
Mol file:115199-84-3.mol

Synonyms:ICI 199,441;ICI 199441;ICI-199441;N-(2-(N-methyl-3,4-dichlorophenylacetamido)-2-phenylethyl)pyrrolidine

Suppliers and Price of N-(2-(N-Methyl-3,4-dichlorophenylacetamido)-2-phenylethyl)pyrrolidine

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

TRC
ICI199441
100mg
$ 1135.00

TRC
ICI199441
50mg
$ 580.00

Tocris
ICI199,441hydrochloride ≥99%(HPLC)
10
$ 154.00

Tocris
ICI199,441hydrochloride ≥99%(HPLC)
50
$ 638.00

ApexBio Technology
ICI199,441hydrochloride
50mg
$ 975.00

ApexBio Technology
ICI199,441hydrochloride
10mg
$ 234.00

American Custom Chemicals Corporation
ICI 199,441 HYDROCHLORIDE 95.00%
5MG
$ 497.50

American Custom Chemicals Corporation
ICI 199,441 HYDROCHLORIDE 95.00%
1MG
$ 144.90

Total 14 raw suppliers

Chemical Property of N-(2-(N-Methyl-3,4-dichlorophenylacetamido)-2-phenylethyl)pyrrolidine

Chemical Property:

Vapor Pressure:1.97E-11mmHg at 25°C
Boiling Point:532.8°Cat760mmHg
Flash Point:276°C
PSA：23.55000
Density:g/cm³
LogP:5.57130
Storage Temp.:Store at RT
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:426.103247
Heavy Atom Count:27
Complexity:449

Purity/Quality:

99%, ^*data from raw suppliers

ICI199441 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C(CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
Isomeric SMILES:CN([C@H](CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
Uses Opioid agonists exert a broad range of effects on the immune system ranging from inflammatory response modulation to opioid and chemokine receptor expression. ICI 199441 is a selective κ-opioid agonist with analgesic properties.

Technology Process of N-(2-(N-Methyl-3,4-dichlorophenylacetamido)-2-phenylethyl)pyrrolidine

There total 4 articles about N-(2-(N-Methyl-3,4-dichlorophenylacetamido)-2-phenylethyl)pyrrolidine 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:

: 130013-63-7
((S)-2-Oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl)-carbamic acid methyl ester

: 115199-84-3
ICI 199441 hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: LAH / tetrahydrofuran

2: CH₂Cl₂

With lithium aluminium tetrahydride; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm00105a027

Reference yield:

: 116508-51-1
(1S)-N-methyl-1-phenyl-2-(pyrrolidin-1-yl)ethanamine

: 6831-55-6
2-(3,4-dichlorophenyl)acetyl chloride

: 115199-84-3
ICI 199441 hydrochloride

Guidance literature:: In dichloromethane; Yield given;
DOI:10.1021/jm00105a027

Reference yield:

: 60725-19-1
(S)-2-((methoxycarbonyl)amino)-2-phenylacetic acid

: 115199-84-3
ICI 199441 hydrochloride

Guidance literature:: Multi-step reaction with 3 steps

1: 74 percent / 1-hydroxybenzotriazole (HOBT), DCC / CH₂Cl₂

2: LAH / tetrahydrofuran

3: CH₂Cl₂

With lithium aluminium tetrahydride; benzotriazol-1-ol; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm00105a027