Detail of "3395-91-3"

CAS Number:
3395-91-3
Name:
Propanoic acid,3-bromo-, methyl ester
Superlist Name:
Methyl 3-bromopropionate
Molecular Structure:
Formula:
C₄H₇BrO₂
Molecular Weight:
167.00
Synonyms:
b-Bromopropionic acid methyl ester;NSC 3705;Methyl b-bromopropionate;3-Bromopropionic acid methyl ester;3-Bromopropanoic acid methyl ester;Propionicacid, 3-bromo-, methyl ester (6CI,7CI,8CI);
EINECS:
222-247-5
Density:
1.501 g/cm³
Melting Point:
75°C
Boiling Point:
166.537 °C at 760 mmHg
Flash Point:
75 °C
Solubility:
Water Solubility : Immiscible
Appearance:
Very slightly yellow liquid
Hazard Symbols:
Xn
Risk Codes:
22-36/37/38
Safety:
26-37/39 Details

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Reference

Acid-base properties of a-ribazole and the thermodynamics of dimethylbenzimidazole association in alkylcobalamins: Acid-base properties of a-ribazole and the thermodynamics of dimethylbenzimidazole association in alkylcobalamins. Brown, Kenneth L.; Hakimi, Janette M.; Nuss, Debra M.; Montejano, Yolanda D.; Jacobsen, Donald W. (Dep. Chem., Univ. Texas, Arlington, TX 76019, USA). Inorg. Chem., 23(10), 1463-71 (English) 1984. CODEN: INOCAJ. ISSN: 0020-1669. DOCUMENT TYPE: Journal CA Section: 33 (Carbohydrates) Section cross-reference(s): 22, 78 1-a-D-Ribofuranosyl-5,6-dimethylbenzimidazole (a-ribazole) was prepd. by Ce(OH)3 catalyzed hydrolysis of cyanocobalamin, purified, and characterized by elemental anal. and 1H and 13C NMR and UV-visible spectroscopy. Values of the pKa of N-3-protonated a-ribazole were detd. at several temps.In this article, certain chemicals are used. Some of their cas registry numbers are 3395-91-3 and 132-13-8 (ionic strength 1.0 M) and the pKa of N-1-protonated a-ribazole was estd. to be -7.2 from UV-visible spectral changes in H2SO4-H2O mixts. Seven alkylcobalamins were prepd. by std. reductive alkylation procedures and purified chromatog. Reductive alkylation with CF3Br produced mixts. of (trifluoromethyl)cobalamin and (difluoromethyl)cobalamin because the former was reductively converted to the latter by reducing agents commonly employed for redn. of cobalt(III) cobalamins to cob(I)alamin. The pKa's for the base-on-base-off transition of these seven alkylcobalamins and methylcobalamin were detd. at the same temps. as the a-ribazole pKa's. From these values the apparent binding consts. for ligation of the free-base benzimidazole nucleotide and the enthalpy and entropy changes for this ligand substitution were calcd. The enthalpy change was quite insensitive to the nature of the org. ligand while the entropy change was quite sensitive. These results are discussed in terms of the probable importance of steric effects of the org. ligands on the base-on-base-off pKa's of alkylcobalamins. .

The role of charge-site location in fragmenting ions: The role of charge-site location in fragmenting ions. 1. [MeCHXCO2Me]+· and [CH2XCH2CO2Me]+· ions and the structures of daughter ions derived from the loss of X (X = I, Br, Cl, and Me). Burgers, Peter C.; Holmes, J. 4244-59-1 and 3395-91-3 are also occured in this study. L.; Lossing, F. P.; Povel, Frank R.; Terlouw, Johan K. (Chem. Dep., Univ. Ottawa, Ottawa K1N 9B4, Can.). Org. Mass Spectrom., 18(8), 335-9 (English) 1983. CODEN: ORMSBG. ISSN: 0030-493X. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Section cross-reference(s): 23 The structures of the m/z 87, [C4H7O2]+, ions generated by dissociative ionization of MeCHXCO2Me and XCH2CH2CO2Me (X = Me, Cl, Br, iodo) were studied by their unimol. and collisionally activated fragmentations and by appearance-energy measurements. For both precursors, loss of X = Me by H-atom transfer gave CH2:CHC+(OH)OMe with DHf = 386 kJ/mol. In marked contrast, loss of I· from ionized MeCHICO2Me and ICH2CH2CO2Me occurred without rearrangement to yield +CHMeCO2Me with DHf = 480 kJ/mol and oxetane I with DHf = 450 kJ/mol, resp. These fragmentation behaviors are explained using photoelectron spectra, which show that the formal charge site in the precursor ion is at the carbonyl O when X = Me but at the halogen when X = iodo. The precursor mols. with X = Cl and Br show both of the above characteristics. .

Detail of "3395-91-3"

Propanoic acid,3-bromo-, methyl ester

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CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

CAS No.3395-91-3 Methyl 3-bromopropionate

Reference