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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-Oxabicyclo[2.2.1]heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-,(1S,4R)-

ClC(=O)[C@@]12CC[C@](C2(C)C)(C(=O)O1)C Request for Quotation
Chemical Name: 2-Oxabicyclo[2.2.1]heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-,(1S,4R)-
CAS Number: 39637-74-6
Product Number: AG0032BM(AGN-PC-0RKEHB)
Synonyms:
MDL No: MFCD00135626
Molecular Formula: C10H13ClO3
Molecular Weight: 216.6614

Identification/Properties

Properties
MP:
71-73 °C(lit.)
BP:
310.92°C (rough estimate)
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.5390 (estimate)
Computed Properties
Molecular Weight:
216.661g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
216.055g/mol
Monoisotopic Mass:
216.055g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
336
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:
Ⅱ

NMR Spectrum

Other Analytical Data

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Chemical Structure


The (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride, commonly known as $name$, serves as a crucial building block in chemical synthesis processes. This compound is utilized primarily for its reactivity as an acyl chloride, enabling it to participate in various chemical reactions.In organic synthesis, the (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride can be used as an acylating agent to introduce the acyl group into other molecules. This acylation reaction is fundamental in the production of pharmaceuticals, agrochemicals, and specialty chemicals. The high reactivity of the carbonyl chloride functional group allows for efficient derivatization of organic compounds, enabling the creation of new chemical entities with desired properties.Furthermore, (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride can also be employed in the preparation of complex natural products and materials with specific functionalities. Its unique structure and reactivity make it a versatile and valuable tool in the hands of chemists working in synthetic organic chemistry.Overall, the (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride plays a crucial role in chemical synthesis by facilitating the acylation of organic molecules, thereby enabling the creation of a wide range of important compounds for various industrial applications.