3-Ethoxy-4-ethoxycarbonyl phenylacetic acid
- Iupac Name：2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic acid
- CAS No.: 99469-99-5
- Molecular Weight：252.26
- Modify Date.: 2023-03-17 12:56
- Introduction: Repaglinide intermediate 3-Ethoxy-4-ethoxycarbonyl phenylacetic acid Supplier
View more+
1. Names and Identifiers
- 1.1 Name
- 3-Ethoxy-4-ethoxycarbonyl phenylacetic acid
- 1.2 Synonyms
[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid 2-[3-ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid 3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid 3-ethoxy-4-(ethoxycarbonyl)phenyl acetate 3-Ethoxy-4-ethoxycar 3-Ethoxy-4-ethoxycarbonyl-phenyl acetic acid 4-Carboxymethyl-2-ethoxybenzoic Acid Ethyl Ester 4-CarboxyMethyl-2-ethoxy-benzoic acid ethyl ester 4-Ethoxycaybonyl-3-ethoxyphenylacetic acid Benzeneacetic acid, 3-ethoxy-4-(ethoxycarbonyl)- Benzoic acid, 4-(acetyloxy)-2-ethoxy-, ethyl ester Ethyl 4-acetoxy-2-ethoxybenzoate Ethyl 4-Carboxymethyl-2-ethoxybenzoate IMp. B (EP): [3-Ethoxy-4-(ethoxycarbonyl)-phenyl]acetic Acid Repaglinide EP IMpurity B Repaglinide Related CoMpound B
- View all
- 1.3 CAS No.
- 99469-99-5
- 1.4 CID
- 10131212
- 1.5 EINECS(EC#)
- 427-630-2
- 1.6 Molecular Formula
- C13H16O5 (isomer)
- 1.7 Inchi
- InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)
- 1.8 InChIkey
- OTGSESBEJUHCES-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CCOC1=C(C=CC(=C1)CC(=O)O)C(=O)OCC
- 1.10 Isomers Smiles
- CCOC1=C(C=CC(=C1)CC(=O)O)C(=O)OCC
2. Properties
- 2.1 Density
- 1.191
- 2.1 Melting point
- 78-80℃
- 2.1 Boiling point
- 414.8°C at 760 mmHg
- 2.1 Refractive index
- 1.5
- 2.1 Flash Point
- 155.9°C
- 2.1 Precise Quality
- 252.10000
- 2.1 PSA
- 72.83000
- 2.1 logP
- 1.88910
- 2.1 Appearance
- white to pale yellow solid
- 2.2 Storage
- Refrigerator
- 2.3 Chemical Properties
- White to Pale Yellow Solid
- 2.4 Color/Form
- Powder
- 2.5 pKa
- 3.96±0.10(Predicted)
- 2.6 StorageTemp
- Refrigerator
3. Use and Manufacturing
- 3.1 Usage
- Repaglinide intermediate 3-Ethoxy-4-ethoxycarbonyl phenylacetic acid Supplier
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- 41
- 4.1 Safety Statements
- 26-39
- 4.1 Hazard Declaration
- H318
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Caution Statement
- P280-P305 + P351 + P338
- 4.1 Safety
-
Safety Information of 4-Ethoxycarbonyl-3-ethoxyphenyla-cetic acid (CAS NO.99469-99-5):
Hazard Codes:Xi 
- 4.2 Specification
-
?4-Ethoxycarbonyl-3-ethoxyphenyla-cetic acid , its CAS NO. is 99469-99-5, the synonyms are 3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid ; 2-[(4-Ethoxycarbonyl)-3-ethoxyphenyl] acetic acid .
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Serious eye damage, Category 1
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Danger |
| Hazard statement(s) | H318 Causes serious eye damage |
| Precautionary statement(s) | |
| Prevention | P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
99469-99-5Total: 6 Synthesis Route
8. Computational chemical data
- Molecular Weight: 252.26g/mol
- Molecular Formula: C13H16O5
- Compound Is Canonicalized: True
- XLogP3-AA: 1.9
- Exact Mass: 252.09977361
- Monoisotopic Mass: 252.09977361
- Complexity: 289
- Rotatable Bond Count: 7
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 72.8
- Heavy Atom Count: 18
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyDoAABgCIAiDSCAACCAAkIAAIiAEGCMgMJzaENRqCeWCl4BEIqYeI7PzOQAABAAAIAACAAAIAABAAAAAAAAAAAA==
9. Question & Answer
-
Background and Overview 3-Ethoxy-4-ethoxycarbonyl phenylacetic acid (1) is an intermediate in the synthesis of type 2 diabetes drug repaglinide. It is a white to pale yellow solid with a density of 1...
10. Recommended Suppliers
-
- Products:API,fine chemical&its intermediates,biological chemistry
- Tel:0086-27-59207850
- Email:info@fortunachem.com
-
- Products:Top quality and high purity with safe transportation and low price
- Tel:+86153-9203-9515
- Email:victoria@xmwonderfulbio.com
-
- Products:pharmaceutical intermediates Organic raw materialsAnimal and plant extracts1.4BDO, Eutylone,4MMC, JWH ,SGT Peptide, Steroids, Benzos,Dissociatives
- Tel:86-311-19832408762
- Email:salesperson66@yeah.net
-
- Products:Cosmetic Raw Materials,solvents,etc.
- Tel:86-311-66562153
- Email:breeduan@crovellbio.com
-
- Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
- Tel:86-592-8883942
- Email:sale@amitychem.com
11. Realated Product Infomation
![2-([(E)-2-(ETHOXYCARBONYL)-3-OXO-1-BUTENYL]AMINO)-2-PHENYLACETIC ACID](https://structimg.guidechem.com/1/13/1777212.png)
![3-[2-(2-ETHOXYCARBONYL-ETHOXY)-ETHOXY]-PROPIONIC ACID](https://structimg.guidechem.com/7/31/361110.png)
![3-Bromo-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenylacetic acid](https://structimg.guidechem.com/4/16/3540675.png)
![3-[3-(2-ETHOXYCARBONYL-ETHOXY)-PROPOXY]-PROPIONIC ACID](https://structimg.guidechem.com/2/26/361105.png)
![3-[4-(2-ETHOXYCARBONYL-ETHOXY)-BUTOXY]-PROPIONIC ACID](https://structimg.guidechem.com/5/41/361120.png)
skype
10YRS
