3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol

Base Information

• Chemical Name: 3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol
• CAS No.: 116539-56-1
• Molecular Formula: C8H13 N O S
• Molecular Weight: 171.263
• European Community (EC) Number: 839-144-1
• UNII: MN1J3TV06Q
• DSSTox Substance ID: DTXSID50869604
• Nikkaji Number: J3.465.344E
• Wikidata: Q27284119
• Mol file: 116539-56-1.mol

Synonyms:116539-56-1;3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol;3-Methylamino-1-(2-thienyl)-1-propanol;3-(methylamino)-1-thiophen-2-ylpropan-1-ol;Duloxetine impurity B;UNII-MN1J3TV06Q;MN1J3TV06Q;(+/-)-3-(N-Methylamino)-1-(2-thienyl)-1-propanol;N-Methyl-(3-hydroxy-3-(2-thienyl)propyl)amine;(+/-)-1-(2-Thiophenyl)-3-methylamino-1-propanol;3-(N-Methylamino)-1-(2-thienyl)-1-propanol, (+/-)-;(S)-3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol;1-beta-Hydroxy-1-(2-thienyl)-3-methylaminopropane;2-Thiophenemethanol, alpha-(2-(methylamino)ethyl)-;Duloxetine IMpurity 14;Duloxetine EP IMpurity B;MFCD07357308;SCHEMBL165478;3-(METHYLAMINO)-1-(2-THIENYL)PROPAN-1-OL;SCHEMBL6378180;DTXSID50869604;YEJVVFOJMOHFRL-UHFFFAOYSA-N;AMY18525;BCP12165;AKOS006291783;AB24966;SB44531;AC-13567;AC-31103;SY010498;1-(2-Thienyl)-3-(methylamino)-1-propanol;CS-0107124;DULOXETINE IMPURITY B [USP IMPURITY];FT-0658141;FT-0694133;FT-0773928;3-(Methylamino)1-(thiophen-2-yl)propan-1-ol;D76696;EN300-4281991;A803637;Q27284119;(S)-(-)-N -Methyl-3-hydroxy-3-(2-thienyl)propanamine;(S)-3-Methylamino-1-(thiophene-2-yl)propan-1-ol,?s-mmaa,?;2-THIOPHENEMETHANOL, .ALPHA.-(2-(METHYLAMINO)ETHYL)-;3-(methylamino)-1-(2-thienyl)propan-1-ol;(S)-3-(Methylamino)-1-(2-thienyl)propan-1-ol

Chemical Property of 3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol

Chemical Property:

• Boiling Point: 294.3°Cat760mmHg
• Flash Point: 131.8°C
• PSA: 60.50000
• Density: 1.128g/cm³
• LogP: 1.78190
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Methanol
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 171.07178521
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

98%min ^*data from raw suppliers

1-β-Hydroxy-1-(2-thienyl)-3-methylaminopropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC(C1=CC=CS1)O
• Uses: 1-β-Hydroxy-1-(2-thienyl)-3-methylaminopropane is an intermediate in the synthesis of Duloxetine (D721000) derivatives.

Technology Process of 3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol

There total 20 articles about 3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol 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%

(2SR,6SR)-N-methyl-2-phenyl-6-(thiophen-2-yl)-[1,3]oxazinan-4-one → 3-(methylamino)-1-(thiophen-2-yl)propan-1-ol (116539-56-1)

Guidance literature:

(2SR,6SR)-N-methyl-2-phenyl-6-(thiophen-2-yl)-[1,3]oxazinan-4-one; With diphenylsilane; carbonylhydridetris(triphenylphosphine)rhodium(I); In tetrahydrofuran; at 20 ℃; for 15h;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 4h;

DOI:10.1016/j.tet.2006.10.006

Reference yield: 91.5%

3-methoxymethylamino-1-(2-thienyl)propan-1-ol (1146983-61-0) → 3-(methylamino)-1-(thiophen-2-yl)propan-1-ol (116539-56-1)

Guidance literature:

With hydrogen; nickel; In methanol; at 50 ℃; for 12h;

Reference yield: 86.0%

N-methyl-3-(thien-2-yl)-3-morpholino-propylamine hydrochloride (645411-16-1) → 3-(methylamino)-1-(thiophen-2-yl)propan-1-ol (116539-56-1)

Guidance literature:

With sodium tetrahydroborate; sodium hydroxide; In methanol; water; at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.bioorg.2016.02.002

upstream raw materials:

N-methyl-3-(thien-2-yl)-3-morpholino-propylamine hydrochloride

thiophene-2-carbaldehyde

2-Acetylthiophene

phenyl (RS)-N-methyl-N-[3-phenyloxycarbonyloxy-3-(thien-2-yl)propyl]carbamate

Downstream raw materials:

(S)-MMAA (R)-α-methoxyphenylacetic acid

duloxetine

(S)-3-methylamino-1-(2-thienyl)-1-propanol

(R)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol

Refernces

• 1、 -. "OLIGOMER-ARYLOXY-SUBSTITUTED PROPANAMINE CONJUGATES". . . Retrieved 2016/11/17.
• 2、 -. "METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AND ITS USE AS INTERMEDIATE FOR PREPARATION OF 3-METHYLAMINO-1-(2-THIENYL)PROPAN-1-OL". Page/Page column 3-4. . Retrieved 2009/05/28.