Basic information
- CAS
5774-69-6- Standard SMILES
CCOC(=O)C(C)(OCc1ccccc1)C(=O)OCC- InChIKey
AYFIAOGBVMPSAE-UHFFFAOYSA-N- Molecular formula
- C15H20O5
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.13107373
Names & identifiers
- Preferred name
- Diethyl 2-(benzyloxy)-2-methylmalonate
- IUPAC
- diethyl 2-methyl-2-phenylmethoxypropanedioate
- English name
- diethyl (benzyloxy)methylmalonate
- Molecular formula
- C15H20O5
- Molecular weight
- 280.32
Names & synonyms
Diethyl 2-(benzyloxy)-2-methylmalonate5774-69-6Diethyl (benzyloxy)methylmalonatediethyl 2-methyl-2-phenylmethoxypropanedioateEINECS 227-299-21,3-DIETHYL 2-(BENZYLOXY)-2-METHYLPROPANEDIOATEDTXSID90973335AYFIAOGBVMPSAE-UHFFFAOYSA-NAKOS015917673Diethyl2-(benzyloxy)-2-methylmalonateDiethyl (benzyloxy)(methyl)propanedioateDB-400780
Show more names
Diethyl 2-((benzyloxy)Methyl)Malonate2-methyl-2-(phenylmethoxy)-, 1,3-diethyl ester2-(Benzyloxy)-2-methylmalonic acid diethyl ester2-Methyl-2-(phenylmethoxy)malonic acid diethyl ester2-(phenylmethoxymethyl)propanedioic acid diethyl esterPropanedioic acid, 2-methyl-2-(phenylmethoxy)-, 1,3-diethyl ester
NS00048117
Database identifiers
- CAS
5774-69-6
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 120 · 120-125 °C(Press: 0.01 Torr)
- Density
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- solubility
- DCM, Ethyl Acetate, Methanol,
Chemistry & industry
Applications
UsesDiethyl Benzyloxymethylmalonate is an intermediate in the asymmetric synthesis of (R)-(-)-chlozolinate through a chemoenzymatic procedure.
Suppliers11 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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