Basic information
- CAS
27143-07-3- Standard SMILES
CCOC(=O)C(Cl)=NNc1ccc(OC)cc1- InChIKey
ATNPZEGMKLGIFA-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O3
- Average molar mass
- 256.68 g/mol
- Monoisotopic mass
- 256.06146996
Overview
See also: Ethyl chloro((4-methoxyphenyl)hydrazono)acetate (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Ethyl 2-chloro-2-[2-(4-methoxyphenyl)hydrazono]acetate
- IUPAC
- ethyl 2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate
- English name
- Ethyl 2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate
- Molecular formula
- C11H13ClN2O3
- Molecular weight
- 256.69
Names & synonyms
Ethyl 2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetateEthyl 2-Chloro-2-[2-(4-methoxyphenyl)hydrazono]acetateRefChem:59427627143-07-3473927-63-8ethyl 2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetateethyl 2-chloro-2-[(4-methoxyphenyl)hydrazono]acetateethyl 2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetateethyl-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetateMFCD02852962Acetic acid, chloro[(4-methoxyphenyl)hydrazono]-, ethyl esterChloro[(4-methoxyphenyl)hydrazono]acetic acid ethyl ester
Show more names
Ethyl chloro[(4-methoxyphenyl)hydrazono]acetate(Z)-ethyl 2-chloro-2-(2-(4-Methoxyphenyl)hydrazono)acetateEthyl(z)-2-chloro-2-(2-(4-Methoxyphenyl)hydrazono)acetateApixaban Impurity BApixaban Impurity 2Apixaban-2hydrazono)Ethyl chloro
Chloro((4-methoxyphenyl)hydrazono]acetic acid ethyl esterEthyl (Z)-2-Chloro-2-[2-(4-methoxyphenyl)hydrazono]acetateorb3181206SCHEMBL5442782ATNPZEGMKLGIFA-UHFFFAOYSA-NAKOS015991493KE-0041PB42440
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 94 ℃ · 94℃
- Boiling point
- 349 · 349.0±44.0 °C(Predicted)
- Density
- 1.23 · 1.23
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 11.63 · 11.63±0.10(Predicted)
- color
- Yellow to Dark Yellow
- InChI
- InChI=1S/C11H13ClN2O3/c1-3-17-11(15)10(12)14-13-8-4-6-9(16-2)7-5-8/h4-7,13H,3H2,1-2H3
- InChIKey
- ATNPZEGMKLGIFA-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(Cl)=NNC1=CC=C(OC)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesAcetic acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene], ethyl ester is an ester derivative and can be used as an intermediate in the synthesis of apixaban.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
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Related reactions
15 records
Compound notes
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