(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate sulfate (2:1)

Basic Information

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CAS Number

620-61-1

Molecular Formula

C34H48N2O10S

Molecular Weight

676.83 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

205-206 ºC

Solubility

Methanol

Refractive Index

-28 ° (C=5, H2O)

SMILES

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CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.OS(=O)(=O)O

InChI

InChI=1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15+,16-;/m11./s1

InChIKey

HOBWAPHTEJGALG-XHJLRQJWSA-N

LogP

3.2090000000000014

Topological Polar Surface Area

174.14 Å²

Hydrogen Bond Donor/Acceptor

4 / 12

Complexity

434

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

HYOSCYAMINE SULFATE
(-)-HYOSCYAMINE SULFATEHYOSCYAMINE SULFATEL-HYOSCYAMINE SULFATEL-HYOSCYAMINE SULFATE HEMISULFATE SALTL-TROPINE TROPATE SULFATE[3(s)-endo]-lestesulfate(2:1)(salt)1-alpha-h,5-alpha-h-tropan-3-alpha-ol,(-)-tropate(ester),sulfate(2:1)egazillevsinsulfateHyoscyamine sulfate hydrateL-Hyoscyamine HemisulfateHYOSCYAMINESULFATE(ANHYDROUS)Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)-, sulfate (2
Hyoscyamine sulfate hydrate
Hyoscyamine sulfate
HYOSCYAMINE SULFATE(RG)
L-HYOSCYAMINE SULFATE
Levsin sulfate
Atropine sulfate
Davurtrop
Corbella
Atropisol
Eyesule
Ryuato
Ichtho-bellol
Lio-atropin
Atropine sulfate anhydrous
Atropinium sulfate
Tropintran
Sulfatropinol
Atropette
Atropine sulphate
Atropine, sulfate (2:1)
Atropinsulfat [German]
Atropin siran [Czech]
Atropine sulfate (VAN)
Atropine sulphate (VAN)
Atropiny siarczan [Polish]
Sulfate d'atropine [French]
DL-Tropanyl 2-hydroxy-1-phenylpropionate sulfate
NS
L-Hyoscyamine sulfate

MDL Number

MFCD00078244

FAQ

What are the physical and chemical properties of (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate sulfate (2:1) (CAS: 620-61-1)?

The compound has a crystalline form and a molecular weight of approximately 413.4 g/mol. It is moderately soluble in water and has limited solubility in organic solvents. Chemically, it is reactive towards strong bases and can undergo ester hydrolysis under basic conditions. It is also susceptible to oxidation and reduction reactions.

How is (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate sulfate (2:1) (CAS: 620-61-1) typically synthesized?

The compound is typically synthesized through a multi-step process involving the condensation of an azabicyclic alcohol with a phenylacetic acid derivative followed by esterification and sulfation. Commonly used catalysts include titanium(IV) isopropoxide, and the reaction is carried out under anhydrous conditions to achieve high yield and selectivity.

What industries use (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate sulfate (2:1) (CAS: 620-61-1)?

This compound is primarily used in the pharmaceutical industry as an intermediate or precursor for the synthesis of various drugs. It is also of interest in the polymer industry for its potential use in developing new materials with specific properties. In addition, it may have applications in sensors and semiconductors due to its chemical structure.

What precautions should be taken when handling (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate sulfate (2:1) (CAS: 620-61-1)?

When handling this compound, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat is required. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spillage, the area should be flushed with water and the spill cleaned up using appropriate absorbent materials. An up-to-date safety data sheet (SDS) should be consulted for specific handling guidelines and emergency procedures.