Ethyl bromodifluoroacetate - CAS 667-27-6
Catalog: |
BB033089 |
Product Name: |
Ethyl bromodifluoroacetate |
CAS: |
667-27-6 |
Synonyms: |
ethyl 2-bromo-2,2-difluoroacetate |
IUPAC Name: | ethyl 2-bromo-2,2-difluoroacetate |
Description: | Ethyl bromodifluoroacetate (CAS# 667-27-6) is a fluorinated compound commonly used in Reformatsky reactions to synthesize difluoro-beta-lactams. Ethyl bromodifluoroacetate is also used as a reagent to synthesize a gallic acid derivative that exhibits plant growth promoting activity. |
Molecular Weight: | 202.98 |
Molecular Formula: | C4H5BrF2O2 |
Canonical SMILES: | CCOC(=O)C(F)(F)Br |
InChI: | InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3 |
InChI Key: | IRSJDVYTJUCXRV-UHFFFAOYSA-N |
Boiling Point: | 112 ℃ |
Density: | 1.583 g/cm3 |
MDL: | MFCD00042069 |
LogP: | 1.53720 |
GHS Hazard Statement: | H225 (95.92%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113511972-A | (E) Preparation method of (E) -4-aryl-2, 2-difluoro-3-butenoic acid derivative | 20210727 |
CN-113501766-A | Asymmetric synthesis method of multifunctional cyclopentenone derivative containing difluoroalkyl | 20210707 |
CN-113372353-A | Difluoroalkylated dihydrofuranoquinolinone derivative and preparation method thereof | 20210702 |
CN-113372246-A | Production and application of surfactant for oil displacement of highly-waxy crude oil | 20210602 |
CN-113264941-A | Dihydrofuranquinolinone derivative and preparation method thereof | 20210527 |
PMID | Publication Date | Title | Journal |
20050617 | 20100205 | Synthesis of 4-substituted 3,3-difluoropiperidines | The Journal of organic chemistry |
17530855 | 20070621 | Addition of difluoromethyl radicals to glycals: a new route to alpha-CF2-D-glycosides | Organic letters |
16018685 | 20050722 | Stereocontrolled synthesis of beta-difluoromethylated materials | The Journal of organic chemistry |
12968899 | 20030919 | Convenient asymmetric synthesis of beta-substituted alpha,alpha-difluoro-beta-amino acids via Reformatsky reaction between Davis' N-sulfinylimines and ethyl bromodifluoroacetate | The Journal of organic chemistry |
12423170 | 20021115 | Asymmetric synthesis of alpha,alpha-difluoro-beta-amino acid derivatives from enantiomerically pure N-tert-butylsulfinimines | The Journal of organic chemistry |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.94410 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.94410 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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