5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate

Base Information

Chemical Name:5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate
CAS No.:102852-53-9
Molecular Formula:C28H40 N2 O4 S
Molecular Weight:500.69
Hs Code.:
DSSTox Substance ID:DTXSID40908091
Mol file:102852-53-9.mol

Synonyms:5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate;5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate hydrochloride, (+-)-isomer;DMPIT

Suppliers and Price of 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate

Chemical Property:

Vapor Pressure:5.08E-15mmHg at 25°C
Boiling Point:614.2°Cat760mmHg
Flash Point:325.3°C
PSA：93.40000
Density:1.05g/cm³
LogP:6.11110
XLogP3:7.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:15
Exact Mass:500.27087894
Heavy Atom Count:35
Complexity:644

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(CN=C=S)C2=CC(=C(C=C2)OC)OC

Technology Process of 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate

There total 2 articles about 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate 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: 63.0%

: 463-71-8
thiophosgene

: 102852-52-8
(+/-)-5-<(3,4-dimethoxyphenethyl)methylamino>-2-(3,4-dimethoxyphenyl)-2-isopropylpentylamine

: 102852-53-9
(+/-)-5-<(3,4-dimethoxyphenethyl)methylamino>-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate

Guidance literature:: With triethylamine; In chloroform; 1.) RT, 1 h, 2.) reflux, 10 h;
DOI:10.1021/jm00159a040

Reference yield:

: 23313-68-0,152-11-4
verapamil hydrochloride

: 102852-53-9
(+/-)-5-<(3,4-dimethoxyphenethyl)methylamino>-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) LAH, 2.) 5percent aq. NaOH / 1.) THF, reflux, 12 h, 2.) THF, water, RT, 30 min

2: 63 percent / Et₃N / CHCl₃ / 1.) RT, 1 h, 2.) reflux, 10 h

With sodium hydroxide; lithium aluminium tetrahydride; triethylamine; In chloroform;
DOI:10.1021/jm00159a040