CAS No.953789-37-2,1-[[2-(4-Chlorophenyl)ethyl]amino]-2-chloropropane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	953789-37-2
Name:	1-[[2-(4-Chlorophenyl)ethyl]amino]-2-chloropropane
Article Data:	12

Formula:	C11H15 Cl2 N . Cl H
Molecular Weight:	268.614
Synonyms:	1-[[2-(4-Chlorophenyl)ethyl]amino]-2-chloropropane;1-[[2-(4-Chlorophenyl)ethyl]amino]-2-chloropropane Hydrochloride;2-Chloro-N-(4-chlorophenethyl)propan-1-aMine hydrochloride;BenzeneethanaMine, 4-chloro-N-(2-chloropropyl)-, hydrochloride (1:1);2-chloro-N-(4-chlorophenethyl)propan-1-aMin hydrochloride;Lorcaserin interMediate;Lorcaserin iMpurity B;2-chloro-N-(4-chlorophenethyl)propan-1-aMiniuM chloride
PSA:	12.03000
LogP:	4.29230

Synthetic route

: 4-chloro-N-(2-chloro-1-oxopropyl)benzeneacetamide

: 953789-37-2
1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane hydrochloride

Conditions

Conditions	Yield
With aluminum (III) chloride; sodium tetrahydroborate; chloro-trimethyl-silane In tetrahydrofuran at 70℃; for 24h; Inert atmosphere;	96%

: 847063-13-2
1-[[2-(4-chlorophenyl)ethyl]amino]-2-hydroxypropane

: 953789-37-2
1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane hydrochloride

Conditions

Conditions	Yield
With thionyl chloride In N,N-dimethyl acetamide; toluene at 50 - 65℃; for 3h; Inert atmosphere;	88.3%
With thionyl chloride In toluene at 70℃; for 10h;	85%
With thionyl chloride In N,N-dimethyl acetamide; toluene at 45 - 60℃;	81.3%

: 1030624-41-9
1-((4-chlorophenethyl)amino)propan-2-ol hydrochloride

: 953789-37-2
1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane hydrochloride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl acetamide In toluene at 50 - 65℃; for 2.5h; Product distribution / selectivity;	85.82%
With thionyl chloride In N,N-dimethyl acetamide; toluene at 50 - 65℃; Inert atmosphere;	85.66%
With thionyl chloride at 50 - 62℃; for 2h; Product distribution / selectivity; Neat (no solvent);	69.52%

: N-(2-(4-chlorophenyl)ethyl)-4-methyl-N-(2-chloropropyl)benzenesulfonamide

: 953789-37-2
1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane hydrochloride

Conditions

Conditions	Yield
With sulfuric acid In water at 120℃; for 2h; Temperature; Reagent/catalyst;	84.7%

: 156-41-2
4-chlorophenylethylamine

: 953789-37-2
1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium triflate / methanol / 6.5 h / 30 - 60 °C 2: N,N-dimethyl-formamide; thionyl chloride / toluene / 2 h / 45 - 60 °C View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / acetonitrile / 20 - 60 °C / Inert atmosphere 2: thionyl chloride / N,N-dimethyl acetamide; toluene / 45 - 60 °C View Scheme

: 1030624-36-2
2-(4-chlorophenyl)-N-(2-hydroxypropyl)acetamide

: 953789-37-2
1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-(4-chlorophenyl)-N-(2-hydroxypropyl)acetamide With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 65℃; Inert atmosphere; Stage #2: With hydrogenchloride In water; toluene at 30 - 40℃; for 0.5h;

: 140-53-4
p-chlorobenzyl cyanide

: 953789-37-2
1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 0 - 55 °C / Inert atmosphere 2: potassium carbonate / acetonitrile / 20 - 60 °C / Inert atmosphere 3: thionyl chloride / N,N-dimethyl acetamide; toluene / 45 - 60 °C View Scheme

: 1-(4-chlorophenyl)-2-((2-hydroxypropyl)amino)ethane-1-one

: 953789-37-2
1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium tetrahydroborate / 2-methyltetrahydrofuran / 0.25 h / 15 - 20 °C 1.2: 10 h / 60 °C 2.1: thionyl chloride / toluene / 10 h / 70 °C View Scheme

: 937-20-2
p-chlorophenacyl chloride

: 953789-37-2
1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium carbonate / ethanol / 8 h / 60 °C 2.1: sodium tetrahydroborate / 2-methyltetrahydrofuran / 0.25 h / 15 - 20 °C 2.2: 10 h / 60 °C 3.1: thionyl chloride / toluene / 10 h / 70 °C View Scheme

: 1875-88-3
2-(4-Chlorophenyl)ethanol

: 953789-37-2
1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogen bromide / 91 - 96 °C / 517.55 - 1807.68 Torr 3: thionyl chloride; N,N-dimethyl acetamide / toluene / 50 - 65 °C View Scheme

Raw Materials

847063-13-2

Downstream Products

616201-80-0

Total:97 Page 1 of 3 1 2 3 Next>>

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Chemistry

Molecular Structure:

Molecular Formula: C₁₁H₁₆Cl₃N
Molecular Weight: 268.61044
Systematic Name: Benzeneethanamine, 4-chloro-N-(2-chloropropyl)-, hydrochloride (1:1)
Synonyms of 1-[[2-(4-Chlorophenyl)ethyl]amino]-2-chloropropane hydrochloride (CAS NO.953789-37-2): 1-[[2-(4-Chlorophenyl)ethyl]amino]-2-chloropropane
CAS NO: 953789-37-2
SMILES: CC(CNCCc1ccc(cc1)Cl)Cl.Cl
InChI: InChI=1/C11H15Cl2N.ClH/c1-9(12)8-14-7-6-10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H
InChIKey: ARSNVFGYXNWTPK-UHFFFAOYAV
Std. InChI: InChI=1S/C11H15Cl2N.ClH/c1-9(12)8-14-7-6-10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H
Std. InChIKey: ARSNVFGYXNWTPK-UHFFFAOYSA-N