rac-trans-Sertraline

Base Information Edit

Chemical Name:rac-trans-Sertraline
CAS No.:140631-53-4
Molecular Formula:C17H17 Cl2 N
Molecular Weight:306.235
Hs Code.:2921499090
UNII:4N6S45X78A
DSSTox Substance ID:DTXSID50904948
Nikkaji Number:J293.677A
Wikidata:Q27260225
ChEMBL ID:CHEMBL284994
Mol file:140631-53-4.mol

Synonyms:rac-trans-Sertraline;79836-45-6;Sertraline, (1RS,4SR)-;Sertraline, trans-(+/-)-;CHEMBL284994;4N6S45X78A;(1R,4S)-4-(3,4-DICHLOROPHENYL)-N-METHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE;(1RS,4SR)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1R,4S)-rel-;1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, trans-(+/-)-;UNII-4N6S45X78A;(1R,4S)-Trans-Sertraline;Sertraline hydrochloride specified impurity A [EP];trans-(+/-)-sertraline;SCHEMBL3947169;BDBM82217;DTXSID50904948;VGKDLMBJGBXTGI-YVEFUNNKSA-N;AKOS030242812;CP-52003;PD062159;C90546;Q27260225;SERTRALINE HYDROCHLORIDE IMPURITY A [EP IMPURITY];(1R,4S)-1-(Methylamino)-4-(3,4-dichlorophenyl)tetralin;(1R,4S)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine;[4-(3,4-Dichloro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine;Racemic trans-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl- 1-napthalenamine;107508-17-8

Suppliers and Price of rac-trans-Sertraline

Supply Marketing:Edit

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

Matrix Scientific
4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine 95+%
250mg
$ 265.00

Matrix Scientific
4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine 95+%
1g
$ 588.00

Crysdot
4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine 95+%
5g
$ 823.00

Chemenu
4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine 95%
5g
$ 777.00

Alichem
4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
1g
$ 400.00

Total 19 raw suppliers

Chemical Property of rac-trans-Sertraline Edit

Chemical Property:

Boiling Point:416.3±45.0 °C(Predicted)
PKA:9.47±0.40(Predicted)
PSA：12.03000
Density:1.25±0.1 g/cm3(Predicted)
LogP:5.57050
Storage Temp.:2-8°C
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:305.0738049
Heavy Atom Count:20
Complexity:322

Purity/Quality:

99% ^*data from raw suppliers

4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
Isomeric SMILES:CN[C@@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl

Technology Process of rac-trans-Sertraline

There total 9 articles about rac-trans-Sertraline 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: 95.0%

: 593-51-1
methylamine hydrochloride

: 79560-19-3,79836-44-5
4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

: 140631-53-4
sertraline

Guidance literature:: methylamine hydrochloride; 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one; With potassium hydroxide; In methanol; at 25 - 30 ℃; for 24h;

With sodium tetrahydroborate; In methanol; at -5 - 25 ℃; for 12 - 14h;

Reference yield: 83.0%

: 79560-20-6
N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]methanamine

: 140631-53-4
sertraline

Guidance literature:: With tris(pentafluorophenyl)borate; 1,1'-[1-methyl-3-(2,6-dimethylpiperidinyl)-1,3-propyl]ferrocene; hydrogen; In toluene; at 80 ℃; under 15001.5 Torr;
DOI:10.1080/00397911.2018.1555710