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116539-55-0

116539-55-0 Structure

116539-55-0 Structure
IdentificationBack Directory
[Name]

3-Methylamino-1-(2-thienyl)-1-propanol
[CAS]

116539-55-0
[Synonyms]

N-Meth
Duloxetine-2
(S)-3-(MethyL
amino)-1-(2-thienyL
Duloxetine Impurity63
Duloxetine EP IMpurity B
Duloxetine hydrochloride impurity B
(1S)-3-(Methylamino)-1-(thiophen-2-
3-Methylamino-1-(2-thienyl)-1-propanol
(s)-3-methylamino-1-(thiophen-2yl)propan
3-(N-METHYLAMINO)-1-(2-THIENYL)-1-PROPANOL
3-(methylamino)-1-thiophen-2-yl-1-propanol
3-(N-METHYLAMINO)-1-(2-THIENYL)-1-PROPANOLI
(s)-3-(Methylamino)-1-(2-thienyl)-1-propanol
(S)-3-methylamino-1-(2-thiophene)-1-propanol
Duloxetine EP Impurity B (Duloxetine alcohol)
(S) -3-methylamino-1- (thien-2-yl) -1-propanol
N-Methyl-3-hydroxy-3-(2-thienyl)-3-aMinopropane
(S)-N-methyl-3-hydroxy-3-(2-thienyl)propanamine
(S)-3-(Methyamino)-1-(thiophen-2-yl)propan-1-ol
(S)-3-(Methylamino)-1-(2-thienyl)-1-propanol>
Duloxetine Impurity 6(Duloxetine EP Impurity B)
(S)-3-METHYLAMINO-1-(THIOPHENE-2-YL)-PROPAN-1-OL
(S)-2-[3-(Methylamino)-1-hydroxypropyl]thiophene
(S)-α-[2-(MethylaMino)ethyl]-2-thiopheneMethanol
(1S)-3-(MethylaMino)-1-(thiophen-2-yl)propan-1-ol
(S)-1-β-Hydroxy-1-(2-thienyl)-3-MethylaMinopropane
(S)-(-)-3-(N-METHYLAMINO)-1-(2-THIENYL)-1-PROPANOL
(1S)-(-)-3-(MethylaMino)-1-(thien-2-yl)propan-1-ol
(S)-3-(Methylamino)-1-(2-thienyl)-1-propanol
2-ThiopheneMethanol, a-[2-(MethylaMino)ethyl]-, (aS)-
2-Thiophenemethanol, α-[2-(methylamino)ethyl]-, (αS)-
(S)-3-MethylaMino-1-(thiophene-2-yl)propan-1-ol,S-MMAA
3-Methylamino-1-(2-thienyl)-1-propanol(For export only)
4-(4-(p-Chlorophenyl)-4-hydroxy-1-piperidyl)-N,N-dimethyl
3-Methylamino-1-(2-thienyl)-1-propanol in stock Factory
3-Methylamino-1-(2-thienyl)-1-propanol,Duloxetine intermediate
(S)-3-(Methylamino)-1-(thiophen-2-yl) propan-1-ol [DMF No. 026862]
[EINECS(EC#)]

601-437-5
[Molecular Formula]

C8H13NOS
[MDL Number]

MFCD07357308
[MOL File]

116539-55-0.mol
[Molecular Weight]

171.26
Questions And AnswerBack Directory
[Synthesis]

In a 1L four-necked flask equipped with a dropping funnel, stirrer, cooling tube, and thermometer, 114.8 mg (0.42 mmol) of N-methyl-N-isobutoxycarbonyl-3-hydroxy-3-(2-thienyl)propanol and 5 mL of 2-propanol were added, along with 0.2 g of a 30% (v/v) sodium hydroxide aqueous solution. The mixture was allowed to react at 30°C for 24 hours. After the reaction was complete, the reaction solution was concentrated, and the residue was extracted with ethyl acetate. The combined ethyl acetate layers were dried over anhydrous sodium sulfate, and the solvent was evaporated under vacuum. The residue was purified by silica gel column chromatography to give (S)-3-(MethylaMino)-1-(2-thienyl)-1-propanol in 92% yield. Figure 3. Synthetic route of 116539-55-0 (S)-3-(MethylaMino)-1-(2-thienyl)-1-propanol.
Chemical PropertiesBack Directory
[Melting point ]

72.0 to 76.0 °C
[Boiling point ]

294.3±35.0 °C(Predicted)
[density ]

1.128±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

13.77±0.20(Predicted)
[color ]

Off-White to Pink
[Major Application]

pharmaceutical small molecule
[InChI]

InChI=1/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/s3
[InChIKey]

YEJVVFOJMOHFRL-ZETCQYMHSA-N
[SMILES]

[C@H](C1SC=CC=1)(O)CCNC |&1:0,r|
[CAS DataBase Reference]

116539-55-0
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[WGK Germany ]

WGK 2
[REACH Registrations]

Active
[HS Code ]

2934999090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 3
Skin Corr. 1A
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

A Duloxetine intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-3-(MethylaMino)-1-(2-thienyl)-1-propanol(116539-55-0)1HNMR
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