(1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride

Basic Information

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CAS Number

39637-74-6

Molecular Formula

C10H13ClO3

Molecular Weight

216.66 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

Basic Physical Properties

Melting Point

68.0 to 72.0 deg-C

Boiling Point

310.92°C (rough estimate)

Flash Point

125 °C

Refractive Index

1.5390 (estimate)

Specific Rotation

-18 º (c=2, CCl4)

SMILES

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CC1(C2(CCC1(OC2=O)C(=O)Cl)C)C

InChI

InChI=1S/C10H13ClO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3/t9?,10-/m1/s1

InChIKey

PAXWODJTHKJQDZ-QVDQXJPCSA-N

LogP

1.8737

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

336

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

(1S)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride
2-Oxabicyclo[2.2.1]heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1S,4R)-
(-)-Camphanic acid chloride
39637-74-6
Camphanoylchloride
(1S)-(-)-Camphanic acid chloride
EINECS 254-552-4
(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride
DTXSID60960257
AKOS017343151
(-)-(1s,4r)-camphanoyl chloride
(1S)-(-)-Camphanic chloride
SCHEMBL6043233
(1S)-(-)-Camphanic chloride, >=98%, ChiraSelect(TM)
(1S)-(-)-Camphanic chloride, 98%
3-Oxa-2-oxobornane-4-carbonyl chloride
4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride
MFCD00135626
2-Oxabicyclo(2.2.1)heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1S)-
(1S)-(-)-Camphanic chloride, for chiral derivatization, >=98.0%
(1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl chloride
AS-40715
(-)-(1S,4R)-Camphanoyl Chloride
(-)-Camphanic Chloride
(1S)-(?)-Camphanic chloride
Camphansaurechlorid
(S)-(-)-1-Camphanyl chloride
PAXWODJTHKJQDZ-UHFFFAOYSA-N
2-Oxabicyclo[2.2.1]heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1S)-
H552
[(2-Oxo-3-oxabornane-4-yl)carbonyl] chloride

MDL Number

MFCD00135626

Customs Code

2916209090

FAQ

What is (1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride (CAS: 39637-74-6)?

(1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride, with CAS number 39637-74-6, is a cyclic ketone derivative. It is a colorless to light yellow liquid with a distinctive odor. This compound is used in pharmaceutical and fine chemical industries due to its specific structural features.

What are the main uses of (1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride (CAS: 39637-74-6)?

(1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride is primarily used as an intermediate in the synthesis of pharmaceuticals and fine chemicals. It is also utilized in research for developing new drug candidates and as a reagent in organic synthesis.

Is (1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride (CAS: 39637-74-6) safe?

Safety measures are necessary when handling (1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride (CAS: 39637-74-6). It is classified as a hazardous chemical and should be used with appropriate safety precautions. Protective gloves and goggles are recommended, and it should be handled in a well-ventilated area to avoid inhalation or skin contact.

How should (1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride (CAS: 39637-74-6) be stored?

(1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride (CAS: 39637-74-6) should be stored in a cool, dry place away from direct sunlight and heat sources. It is advisable to keep it in a tightly closed, clear container with a secondary containment to prevent spills and ensure safety.