trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride

Basic Information

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CAS Number

1217655-87-2

Molecular Formula

C25H25ClFNO3

Molecular Weight

441.93 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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C1CNCC(C1C2=CC=C(C=C2)C3=CC=C(C=C3)F)COC4=CC5=C(C=C4)OCO5.Cl

InChI

InChI=1S/C25H24FNO3.ClH/c26-21-7-5-18(6-8-21)17-1-3-19(4-2-17)23-11-12-27-14-20(23)15-28-22-9-10-24-25(13-22)30-16-29-24;/h1-10,13,20,23,27H,11-12,14-16H2;1H/t20-,23-;/m1./s1

InChIKey

LXCDAUDXYHUOFQ-KFWGXXPESA-N

LogP

5.415300000000005

Topological Polar Surface Area

39.72 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

533

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

rac-trans-4-Defluoro-4-(4-fluorophenyl) Paroxetine Hydrochloride
(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4'-fluoro-4-biphen ylyl)piperidine hydrochloride (1:1)
3-((Benzodioxol-5-yloxy)methyl)-4-(4'-fluorobiphenyl-4-yl)piperidine hydrochloride, (3SR,4RS)-
(+/-)trans-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4''-fluorophenyl-4'-phenyl)piperidine Hydrochloride
trans-3-(benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride
(-)-TRANS-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4''-FLUOROPHENYL-4'-PHENYL)PIPERIDINE HYDROCHLORIDE
(3R,4S)-rel-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4'-fluoro[1,1'-biphenyl]-4-yl)-piperidine Hydrochloride
trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluorobiphenyl-4-yl)piperidine hydrochloride
(3R,4S)-Rel-3-((benzo(d)(1,3)dioxol-5-yloxy)methyl)-4-(4'-fluoro-(1,1'-biphenyl)-4-yl)piperidine hydrochloride
1217655-87-2
(+/-)-TRANS-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL-4-PHENYL)PIPERIDINE HYDROCHLORIDE
trans-3-(Benzo(1,3)dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine HCl
Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4'-fluoro(1,1'-biphenyl)-4-yl)-, hydrochloride (1:1), (3R,4S)-rel-
TRANS-3-(BENZO[1,3]DIOXOL-5-YLOXYMETHYL)-4-(4'-FLUORO-BIPHENYL-4-YL)-PIPERIDINE HCL
UNII-G2N13OH0O2
3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4''-FLUOROPHENYL-4'-PHENYL)PIPERIDINE HYDROCHLORIDE, TRANS-(+/-)-
Paroxetine Related Compound G, rac-trans-4-Defluoro-4-(4-fluorophenyl) Paroxetine Hydrochloride; Paroxetine Related Compound G as Hydrochloride
G2N13OH0O2
3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4''-FLUOROPHENYL-4'-PHENYL)PIPERIDINE HYDROCHLORIDE, TRANS-(-)-
(3SR,4RS)-3-((Benzodioxol-5-yloxy)methyl)-4-(4'-fluorobiphenyl-4-yl)piperidine hydrochloride
trans-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4'-fluoro-[1,1'-biphenyl]-4-yl)piperidine hydrochloride
(+/-)trans-3-((1,3-Benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl-4-phenyl)piperidine hydrochloride
54G82TSV4J
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-[4-(4-fluorophenyl)phenyl]piperidine;hydrochloride

MDL Number

MFCD07784042

FAQ

What are the physical and chemical properties of trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride (CAS: 1217655-87-2)?

The compound is a white crystalline solid with a molecular weight of approximately 501.6 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and dichloromethane. Chemically, it is less reactive under normal conditions, but exposure to strong acids or bases may affect its stability.

How is trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride (CAS: 1217655-87-2) typically synthesized?

This compound is typically synthesized by a multistep process involving coupling of benzo[1,3]dioxol-5-yl methanol with 4'-fluoro-biphenyl, followed by piperidine attachment and hydrochloride formation. The specific reaction conditions and catalysts used can vary, but the overall yield is good.

What industries use trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride (CAS: 1217655-87-2)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. It may also find applications in polymer chemistry for the synthesis of advanced materials and in sensor technology for detecting specific compounds.

What precautions should be taken when handling trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride (CAS: 1217655-87-2)?

Handle with appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to prevent inhalation. Store in a cool, dry place away from direct sunlight and flammable materials. In case of spills, neutralize with a suitable absorbent and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride | CAS No. 1217655-87-2

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Physical State

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride (CAS: 1217655-87-2)?

How is trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride (CAS: 1217655-87-2) typically synthesized?

What industries use trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride (CAS: 1217655-87-2)?

What precautions should be taken when handling trans-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-(4'-fluoro-biphenyl-4-yl)-piperidine hydrochloride (CAS: 1217655-87-2)?

Related Compounds

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Supplier Information

Shanghai Jixiang Biotechnology Co., Ltd.

Xi'an Borui Biological Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Shanghai Kewei Chemical Technology Co., Ltd.

Shanghai Aladdin Bio-Technologies Co., Ltd.

Shanghai Mofu Medicine Technology Co., Ltd.

Hubei Rieno Pharmaceutical Technology Co., Ltd.

HuBeiGuoYunFuRui Technology Co Ltd

Shanghai Yuyeh Biotechnology Co., Ltd.

ShenZhenZhenJiangShengWuJiShu Co Ltd

Shanghai Hansi Chemical Co., Ltd.

JiangSuAiKangShengWuYiYaoYanFa Co Ltd

ShenZhenAiTaHuaXue Co Ltd

Crescent Chemical Company

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