Basic information
- CAS
40912-11-6- Standard SMILES
COC(=O)CCc1ccc(C(=O)OC)cc1- InChIKey
MLKXCCLYRPKSBM-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- Methyl 4-(3-methoxy-3-oxopropyl)benzoate
- IUPAC
- methyl 4-(3-methoxy-3-oxopropyl)benzoate
- English name
- Methyl 3-(4-Methoxycarbonylphenyl)propionate
- Molecular formula
- C12H14O4
- Molecular weight
- 222.24
Names & synonyms
40912-11-6Methyl 4-(3-methoxy-3-oxopropyl)benzoateDTXSID20344291RefChem:355376DTXCID30295366Methyl 3-(4-Methoxycarbonylphenyl)propionate3-(p-Carboxyphenyl)propionic Acid Dimethyl EsterMFCD000593053-(4-Methoxycarbonylphenyl)propionic Acid Methyl EsterBenzenepropanoic acid, 4-(methoxycarbonyl)-, methyl ester4-(Methoxycarbonyl)benzenepropanoic Acid Methyl Ester; Methyl 4-(3-Methoxy-3-oxopropyl)benzoateSCHEMBL2499088
Show more names
Methyl 3-(4-Methoxycarbonylphenyl)propionate >3-(p-Carboxyphenyl)propionic Acid Dimethyl Ester3-(4-CARBOXYPHENYL)PROPIONIC ACID DIMETHYL ESTER4-(Methoxycarbonyl)hydrocinnamic acid methyl esterp-(2-Methoxycarbonylethyl)benzoic acid methyl ester4-(Methoxycarbonyl)benzenepropionic acid methyl ester3-(4-(methoxycarbonyl)phenyl)propanoic acid methyl ester
WLZ3286AKOS027252967CS-W014718Methyl4-(3-methoxy-3-oxopropyl)benzoateAS-64530DB-109336methyl 4-(3-methoxy-3-oxo-propyl)benzoateMethyl 4-(3-methoxy-3-oxopropyl)benzoate #
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 33 °C · 33 °C
- Boiling point
- 109 · 109-110 °C(Press: 0.01 Torr)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Dichloromethane, Ethyl Acetate
- form
- Solid
- color
- Yellow
- CAS DataBase Reference
- 40912 · 40912-11-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2917.39 · 2917.39.7000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2917.39.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesMethyl 3-(4-Methoxycarbonylphenyl)propionate is a benzoic acid derivative used in the preparation of potent, selective, orally bioavailable matrix metalloproteinase inhibitors.
Upstream & downstream products
Downstream products
Suppliers28 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
5 records
Compound notes
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