Basic information
- CAS
15373-33-8- Standard SMILES
COC(=O)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1- InChIKey
AXVNASNMWOTDCW-UHFFFAOYSA-N- Molecular formula
- C23H22O4
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.15180918
Names & identifiers
- Preferred name
- [3,4-Bis(benzyloxy)phenyl]acetic Acid Methyl Ester
- IUPAC
- methyl 2-[3,4-bis(phenylmethoxy)phenyl]acetate
- English name
- [3,4-Bis(benzyloxy)phenyl]acetic Acid Methyl Ester
- Molecular formula
- C23H22O4
- Molecular weight
- 362.42
Names & synonyms
15373-33-8[3,4-Bis(benzyloxy)phenyl]acetic Acid Methyl Ester3,4-Bis(phenylmethoxy)benzeneacetic Acid Methyl EsterMethyl 2-[3,4-bis(phenylmethoxy)phenyl]acetateSCHEMBL26851429DTXSID101261395Methyl [3,4-bis(benzyloxy)phenyl]acetateMethyl 3,4-bis(phenylmethoxy)benzeneacetateBenzeneacetic acid, 3,4-bis(phenylmethoxy)-, methyl ester
Database identifiers
- CAS
15373-33-8- PubChem CID
- 12370035
- DTXSID
DTXSID101261395- Nikkaji
- J1.622.293C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Melting point
- 41 · 41-42 °C
- Boiling point
- 185 · 185-190 °C(Press: 0.9 Torr)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- solubility
- DCM
- form
- Oil
- color
- Red
Chemistry & industry
Applications
Uses[3,4-Bis(benzyloxy)phenyl]acetic Acid Methyl Ester is an intermediate in the synthesis of Dopal (D533885), the reactive metabolite of dopamine (D533780), an endogenous catecholamine with α and β-adrenergic activity.
Upstream & downstream products
Downstream products
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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