3-Dechloro Sertraline Hydrochloride

Base Information

Chemical Name:3-Dechloro Sertraline Hydrochloride
CAS No.:79559-98-1
Molecular Formula:C₁₇H₁₈ClN*ClH
Molecular Weight:308.251
Hs Code.:
European Community (EC) Number:641-982-6
ChEMBL ID:CHEMBL1788370
DSSTox Substance ID:DTXSID90712362
Mol file:79559-98-1.mol

Synonyms:79646-00-7;79559-98-1;rac-cis-3-Dechloro Sertraline Hydrochloride;3-Dechloro Sertraline Hydrochloride;(1S,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride;CID 13408710;(1RS,4RS)-4-(4-Chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine Hydrochloride;CHEMBL1788370;Sertraline Hydrochloride Imp. C (EP);Sertraline Imp. C (EP);Sertraline Hydrochloride Imp. C (EP) as Hydrochloride;Sertraline Hydrochloride Impurity C as Hydrochloride;Sertraline Impurity C as Hydrochloride;SCHEMBL7330582;DTXSID90712362;(1S,4S)-4-(4-Chlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride (1:1)

Suppliers and Price of 3-Dechloro Sertraline Hydrochloride

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
rac-cis-3-DechloroSertralineHydrochloride
50mg
$ 185.00

Total 11 raw suppliers

Chemical Property of 3-Dechloro Sertraline Hydrochloride

Chemical Property:

PSA：12.03000
LogP:5.71910
Storage Temp.:Hygroscopic, Refrigerator, under inert atmosphere
Solubility.:Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:307.0894550
Heavy Atom Count:20
Complexity:285

Purity/Quality:

98%Min ^*data from raw suppliers

rac-cis-3-DechloroSertralineHydrochloride ^*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
Uses rac-cis-3-Dechloro Sertraline Hydrochloride (Sertraline EP Impurity C) is a Sertraline (S280000) derivative. Antidepressant. Sertraline (S280000) derivative. Antidepressant.

Technology Process of 3-Dechloro Sertraline Hydrochloride

There total 6 articles about 3-Dechloro Sertraline Hydrochloride 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:

: 123-39-7
N-Methylformamide

: 64-18-6
formic acid

: 36159-73-6
4-(p-chlorophenyl)-1-tetralone

: 79559-98-1,79617-90-6,79646-00-7
[(1R,4R)-4-(4-Chloro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine; hydrochloride

Guidance literature:: N-Methylformamide; formic acid; 4-(p-chlorophenyl)-1-tetralone; at 140 - 190 ℃; for 10h;

With potassium hydroxide; In butan-1-ol; at 110 - 130 ℃; for 10h;

With hydrogenchloride; In water; at 0 ℃; pH=1;

Reference yield:

: 99-91-2
para-chloroacetophenone

: 79559-98-1,79617-90-6,79646-00-7
[(1R,4R)-4-(4-Chloro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine; hydrochloride

Guidance literature:: Multi-step reaction with 6 steps

1.1: acetic acid / Reflux

2.1: acetic acid; zinc / water / 20 °C

3.1: sodium hydroxide / water / 80 °C / pH 11

3.2: 4 h

4.1: hydrogenchloride / water / 3 h / pH 1 - 2

5.1: trifluorormethanesulfonic acid / 2 h / 60 °C

6.1: 10 h / 140 - 190 °C

6.2: 10 h / 110 - 130 °C

6.3: 0 °C / pH 1

With hydrogenchloride; trifluorormethanesulfonic acid; acetic acid; sodium hydroxide; zinc; In water;

Reference yield:

: 29582-39-6,6269-33-6
3-(4-chlorobenzoyl)acrylic acid

: 79559-98-1,79617-90-6,79646-00-7
[(1R,4R)-4-(4-Chloro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine; hydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1.1: acetic acid; zinc / water / 20 °C

2.1: sodium hydroxide / water / 80 °C / pH 11

2.2: 4 h

3.1: hydrogenchloride / water / 3 h / pH 1 - 2

4.1: trifluorormethanesulfonic acid / 2 h / 60 °C

5.1: 10 h / 140 - 190 °C

5.2: 10 h / 110 - 130 °C

5.3: 0 °C / pH 1

With hydrogenchloride; trifluorormethanesulfonic acid; acetic acid; sodium hydroxide; zinc; In water;