2-Bromo-4-methylpentanoic Acid Methyl Ester - CAS 61837-46-5
Catalog: |
BB072050 |
Product Name: |
2-Bromo-4-methylpentanoic Acid Methyl Ester |
CAS: |
61837-46-5 |
Synonyms: |
2-Bromo-4-methylpentanoic Acid Methyl Ester; Methyl 2-bromo-4-methylpentanoate; Methyl 2-bromo-4-methylvalerate; Methyl α-bromoisocaproate |
IUPAC Name: | methyl 2-bromo-4-methylpentanoate |
Description: | 2-Bromo-4-methylpentanoic Acid Methyl Ester, can be used in the synthesis of series of amino acids, under solid-liquid phase-transfer catalysis conditions. |
Molecular Weight: | 209.08 |
Molecular Formula: | C7H13BrO2 |
Canonical SMILES: | CC(C)CC(C(=O)OC)Br |
InChI: | InChI=1S/C7H13BrO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4H2,1-3H3 |
InChI Key: | SRPGFJDOALJGMR-UHFFFAOYSA-N |
Storage: | 4°C |
References: | Albanese, D., et al. J. Org. Chem., 57 , 1603 (1992). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.00989 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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