1,4,7,10,13-Pentaoxa-16-azacyclooctadecane

Basic Information

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CAS Number

33941-15-0

Molecular Formula

C12H25NO5

Molecular Weight

263.33 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

Basic Physical Properties

Melting Point

50.0 to 55.0 deg-C

Boiling Point

404°C at 760 mmHg

Water Solubility

Insoluble in water.

Refractive Index

1.4287 (estimate)

SMILES

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C1COCCOCCOCCOCCOCCN1

InChI

InChI=1S/C12H25NO5/c1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1/h13H,1-12H2

InChIKey

NBXKUSNBCPPKRA-UHFFFAOYSA-N

LogP

-0.32739999999999725

Topological Polar Surface Area

58.18000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

155

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Air Sensitive

Synonyms & References

English

A50061
AS-65386
AB89914
FT-0607356
EINECS 251-751-8
SY116502
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane
DTXSID80187560
AKOS001579697
33941-15-0
YB36BH3ZDP
1-Aza-18-crown-6
CS-0120638
H-D-SER(TBU)-OMEHCL
SCHEMBL897208
NS00029579
J-019388
AMY18436
aza-18-crown-6
MFCD00075466
1-aza-4,7,10,13,16-pentaoxacyclooctadecane
A875140
1-Aza-18-crown-6, >=98.0% (NT)
CHEMBL1812802
1-Aza-18-crown 6-Ether
1-AZA-18-CROWN 6-ETHER
18-azacrown-6
1-Aza-4,7,10,13,16-pentaoxacyclooctadecane
4,7,10,13,16-Pentaoxa-1-azacyclooctadecane
AZA-18-CROWN-6
mono-aza-18-crown-6

MDL Number

MFCD00075466

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane (CAS: 33941-15-0)?

1,4,7,10,13-Pentaoxa-16-azacyclooctadecane is a colorless solid with a molecular weight of approximately 272.31 g/mol. It has a low solubility in water but is soluble in common organic solvents. It exhibits limited reactivity under normal conditions but can undergo ring-opening reactions under basic conditions. It is a chiral compound with a melting point of 115-117°C.

How is 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane (CAS: 33941-15-0) typically synthesized?

1,4,7,10,13-Pentaoxa-16-azacyclooctadecane can be synthesized via a ring-closing metathesis of a cyclic diol or via a Wittig reaction pathway. Commonly, a Wittig reaction of a suitable aldehyde or ketone with a phosphorane followed by aqueous acid work-up is used. The product is obtained with good yield and selectivity.

What industries use 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane (CAS: 33941-15-0)?

1,4,7,10,13-Pentaoxa-16-azacyclooctadecane is used in the pharmaceutical industry for the synthesis of certain drugs, in polymer chemistry for the production of special polymers, and in the manufacturing of sensors and semiconductors due to its unique molecular structure.

What precautions should be taken when handling 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane (CAS: 33941-15-0)?

When handling 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate methods, and safety data sheets (SDS) should be consulted for detailed handling instructions. Storage should be in a cool, dry place, away from direct sunlight and ignition sources.