2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide

Base Information

Chemical Name:2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
CAS No.:67198-19-0
Molecular Formula:C19H26Cl2N2O.HCl
Molecular Weight:369.334
Hs Code.:
DSSTox Substance ID:DTXSID10600858
Nikkaji Number:J253.143G
Wikidata:Q27185970
Pharos Ligand ID:KX96PMR9DYN3
ChEMBL ID:CHEMBL58033

Synonyms:67198-19-0;(-)-U-50488;2-(3,4-dichlorophenyl)-N-methyl-N-((1S,2S)-2-(pyrrolidin-1-yl)cyclohexyl)acetamide;2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide;(+/-) trans-U-50488 methanesulfonate;trans-(-)-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide hydrochloride;Tocris-0471;Tocris-0495;Tocris-0496;Lopac0_000472;Lopac0_001266;BSPBio_001511;KBioGR_000231;KBioSS_000231;CHEMBL58033;SCHEMBL10804846;KBio2_000231;KBio2_002799;KBio2_005367;KBio3_000461;KBio3_000462;DTXSID10600858;2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide;CHEBI:107647;Bio1_000413;Bio1_000902;Bio1_001391;Bio2_000231;Bio2_000711;HMS1361L13;HMS1791L13;HMS1989L13;HMS3402L13;BDBM50000780;CCG-204564;SDCCGSBI-0050457.P004;2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;IDI1_033981;NCGC00024605-01;NCGC00024605-02;NCGC00024605-03;NCGC00024605-04;NCGC00024605-05;NCGC00024605-06;NCGC00024605-07;NCGC00024605-08;NCGC00024605-09;NCGC00024605-10;NCGC00024605-11;NCGC00024605-12;NCGC00024605-17;NCGC00024605-18;(-)-U-50488H;BRD-K53532120-001-02-4;BRD-K53532120-003-03-8;BRD-K53532120-003-11-1;Q27185970;(-)-U 50488;U-50488-(-);(1s-trans)-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-benzeneacetamide;2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-2-(pyrrolidin-1-yl)cyclohexyl]acetamide

Suppliers and Price of 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide

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

Total 7 raw suppliers

Chemical Property of 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide

Chemical Property:

Vapor Pressure:5.35E-10mmHg at 25°C
Boiling Point:496.6°C at 760 mmHg
PKA:9.21±0.20(Predicted)
Flash Point:254.1°C
PSA：23.55000
Density:1.23±0.1 g/cm3(Predicted)
LogP:4.33920
Storage Temp.:Desiccate at RT
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:368.1422188
Heavy Atom Count:24
Complexity:428

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl
Isomeric SMILES:CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Technology Process of 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide

There total 12 articles about 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide 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: 100.0%

: 5807-30-7
3,4-dichlorophenyl acetic acid

: 67198-34-9,67198-53-2,67347-43-7,99239-39-1,116301-06-5,121843-49-0,121843-50-3,121843-51-4,142434-12-6
(+/-)-cis-N-methyl-2-(1-pyrrolidinyl)cyclohexylamine

: 67198-13-4,67198-17-8,67198-19-0,83913-05-7,116301-05-4,121843-48-9,121843-52-5,121843-54-7,149341-39-9
cis U 50488

Guidance literature:: With dicyclohexyl-carbodiimide; In dichloromethane; for 0.166667h; Ambient temperature;
DOI:10.1021/jm00128a050

Reference yield: 95.0%

: 67198-53-2
trans-N-methyl-2-(1-pyrrolidinyl)-cyclohexanamine

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

: 67198-19-0
(-)-trans-(1S,2S)-U-50488

Guidance literature:: In dichloromethane; at 0 ℃; for 5h;
DOI:10.1002/chem.200400607

Reference yield:

: 5807-30-7
3,4-dichlorophenyl acetic acid

: 67198-34-9,67198-53-2,67347-43-7,99239-39-1,116301-06-5,121843-49-0,121843-50-3,121843-51-4,142434-12-6
trans-(+/-)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine

: 67198-13-4,67198-17-8,67198-19-0,83913-05-7,116301-05-4,121843-48-9,121843-52-5,121843-54-7,149341-39-9
trans-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidynyl)-cyclohexyl]benzeneacetamide

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;
DOI:10.1002/cmdc.201100278