2-(2,4-Dichloro-5-fluorobenzoyl)-3-cyclopropylaminoacrylic acid, methyl ester, mixture of isomers - CAS 105392-26-5
Catalog: |
BB001637 |
Product Name: |
2-(2,4-Dichloro-5-fluorobenzoyl)-3-cyclopropylaminoacrylic acid, methyl ester, mixture of isomers |
CAS: |
105392-26-5 |
Synonyms: |
methyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate |
IUPAC Name: | methyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate |
Description: | 2-(2,4-Dichloro-5-fluorobenzoyl)-3-cyclopropylaminoacrylic acid, methyl ester, mixture of isomers (CAS# 105392-26-5 ) is a useful research chemical. |
Molecular Weight: | 330.18 |
Molecular Formula: | C15H14Cl2FNO2 |
Canonical SMILES: | COC(=O)C(=C(C1=CC(=C(C=C1Cl)Cl)F)O)C=NC2CC2 |
InChI: | InChI=1S/C14H12Cl2FNO3/c1-21-14(20)9(6-18-7-2-3-7)13(19)8-4-12(17)11(16)5-10(8)15/h4-7,19H,2-3H2,1H3 |
InChI Key: | SOERDDQRVKVCEI-UHFFFAOYSA-N |
Boiling Point: | 468.4 ℃ at 760 mmHg |
Melting Point: | 150-154 ℃(lit.) |
Purity: | 95 % |
Density: | 1.43 g/cm3 |
MDL: | MFCD02683487 |
LogP: | 3.51500 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-101230013-B | Method for preparing enamine derivates | 20080203 |
DE-3821798-A1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED 3-AMINO-2- (BENZOYL) -ACRYLIC ACID ESTERS, AND A METHOD FOR THE PRODUCTION OF INTERMEDIATE PRODUCTS FOR ANTIBACTERIAL ACTIVE SUBSTANCES FROM THESE COMPOUNDS | 19880609 |
EP-0345464-A2 | Process for the preparation of substituted 3-amino-2-(benzoyl)acrylic acid esters as well as a process for the preparation of intermediates for antibacterial active agents from these compounds | 19880609 |
EP-0345464-B1 | Process for the preparation of substituted 3-amino-2-(benzoyl)acrylic acid esters as well as a process for the preparation of intermediates for antibacterial active agents from these compounds | 19880609 |
US-5011971-A | Process for the preparation of substituted 3-amino-2 (benzoyl)-acrylic acid esters, and a process for the preparation of intermediates for antibacterial active compounds from these compounds | 19880609 |
Complexity: | 465 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.0178268 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.0178268 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 3.9 |
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