[(2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate | CAS No. 61397-56-6

[(2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate

Basic Information

CAS Number

61397-56-6

Molecular Formula

C18H15BrCl2O4

Molecular Weight

446.12 g/mol

AD

Basic Physical Properties

Melting Point

116-121°C

O=C(OC[C@H]1O[C@](C2=CC=C(Cl)C=C2Cl)(CBr)OC1)C3=CC=CC=C3

InChI

InChI=1S/C18H15BrCl2O4/c19-11-18(15-7-6-13(20)8-16(15)21)24-10-14(25-18)9-23-17(22)12-4-2-1-3-5-12/h1-8,14H,9-11H2/t14-,18-/m0/s1

InChIKey

OXUPOIXSQGXRGF-KSSFIOAISA-N

LogP

4.813500000000004

Topological Polar Surface Area

44.760000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Safety Information

View Safety Information

Hazard Statement

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

  • Cis -[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan -4-yl]methyl benzoate
  • Cis-2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-methanolbenzoate
  • [(2s,4s)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
  • 1,3-DIOXOLANE-4-METHANOL, 2-(BROMOMETHYL)-2-(2,4-DICHLOROPHENYL)-BENZOATE,(2R,4R)-REL-
  • CIS-2-[2,4-DICHLOROPHENYL]-2-BROMOMETHYL-4-(BENZOYLOXY)METHYL-1,3-DIOXALANE
  • cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate
  • CIS-BROMO BENZOATE
  • CIS-BROMO-ESTER

MDL Number

MFCD07370171

FAQ

What are the physical and chemical properties of [(2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate (CAS: 61397-56-6)?

This compound is a white crystalline solid with a molecular weight of approximately 511.5 g/mol. It has poor water solubility and moderate solubility in organic solvents. Chemically, it exhibits limited reactivity under normal conditions but can undergo nucleophilic substitution and other organic transformations. It is stable under neutral and basic conditions but may decompose under acidic conditions.

How is [(2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate (CAS: 61397-56-6) typically synthesized?

This compound can be synthesized via a multi-step process starting from dichlorobenzene and 1,3-dioxolan-4-yl methyl bromide. The synthesis involves the formation of a bromomethylated intermediate, followed by the coupling of the 2,4-dichlorophenyl group. The overall yield is around 75%, and the use of appropriate catalysts can enhance the selectivity and efficiency of the reaction.

What industries use [(2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate (CAS: 61397-56-6)?

This compound is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules. It may also be utilized in the polymer industry for specific applications requiring particular chemical functionalities. Additionally, it could find applications in the sensor and semiconductor industries due to its unique chemical properties.

What precautions should be taken when handling [(2R,4R)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate (CAS: 61397-56-6)?

Handling this compound requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. A Material Safety Data Sheet (MSDS) should be consulted for detailed safety information and emergency procedures.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...