MADAM dihydrochloride

Base Information

Chemical Name:MADAM dihydrochloride
CAS No.:411208-45-2
Molecular Formula:C16H20N2S.2ClH
Molecular Weight:272.414
Hs Code.:2930909090
European Community (EC) Number:637-003-7
DSSTox Substance ID:DTXSID50582028
Mol file:411208-45-2.mol

Synonyms:MADAM dihydrochloride;411208-45-2;1049740-95-5;2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-methylaniline;dihydrochloride;SCHEMBL1230664;DTXSID50582028;GSBZMNLLLNHKDY-UHFFFAOYSA-N;2-({2-[(Dimethylamino)methyl]phenyl}sulfanyl)-5-methylaniline--hydrogen chloride (1/2)

Suppliers and Price of MADAM dihydrochloride

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

Sigma-Aldrich
MADAM dihydrochloride
25mg
$ 486.00

American Custom Chemicals Corporation
MADAM DIHYDROCHLORIDE 95.00%
25MG
$ 971.42

American Custom Chemicals Corporation
MADAM DIHYDROCHLORIDE 95.00%
5MG
$ 694.97

Total 2 raw suppliers

Chemical Property of MADAM dihydrochloride

Chemical Property:

Vapor Pressure:1.13E-07mmHg at 25°C
Boiling Point:426.4°C at 760 mmHg
PKA:8.47±0.28(Predicted)
Flash Point:211.7°C
PSA：54.56000
Density:1.14±0.1 g/cm3(Predicted)
LogP:5.97520
Storage Temp.:2-8°C
Solubility.:H2O: ~18 mg/mL
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:344.0880753
Heavy Atom Count:21
Complexity:270

Purity/Quality:

98%Min ^*data from raw suppliers

MADAM dihydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)SC2=CC=CC=C2CN(C)C)N.Cl.Cl

Technology Process of MADAM dihydrochloride

There total 7 articles about MADAM dihydrochloride 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: 80.0%

: 411208-43-0
N,N-dimethyl-2-[(4-methyl-2-nitrophenyl)thio]benzenemethanamine

: 411208-45-2
N,N-dimethyl-2-(2-amino-4-methylphenylthio)benzylamine

Guidance literature:: With hydrogenchloride; tin(ll) chloride; In methanol;

Reference yield: 39.0%

: 411208-40-7
N,N-dimethyl-2-(4'-methyl-2'-nitrophenylthio)benzamide

: 411208-45-2
N,N-dimethyl-2-(2-amino-4-methylphenylthio)benzylamine

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;
DOI:10.1021/jm050079o

Reference yield:

: 5326-34-1
4-Bromo-3-nitrotoluene

: 411208-45-2
N,N-dimethyl-2-(2-amino-4-methylphenylthio)benzylamine

Guidance literature:: Multi-step reaction with 3 steps

1: K₂CO₃ / dimethylformamide / 5 h / 80 °C

2: B₂H₆*THF / 5 h / Heating

3: SnCl₂; aq. HCl / methanol / 5 - 20 °C

With hydrogenchloride; B₂H₆-THF; potassium carbonate; tin(ll) chloride; In methanol; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2005.11.066