Basic information
- CAS
1330763-23-9- Standard SMILES
CCOC(=O)C1C(=O)COCCN1C(=O)OC(C)(C)C- InChIKey
CRMCVFCPWKMQAH-UHFFFAOYSA-N- Molecular formula
- C13H21NO6
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.13688739
Names & identifiers
- Preferred name
- 4-tert-Butyl 5-ethyl 6-oxo-1,4-oxazepane-4,5-dicarboxylate
- IUPAC
- 4-O-tert-butyl 5-O-ethyl 6-oxo-1,4-oxazepane-4,5-dicarboxylate
- English name
- 6-Oxo-[1,4]Oxazepane-4,5-Dicarboxylic Acid 4-Tert-Butyl Ester 5-Ethyl Ester
- Molecular formula
- C13H21NO6
- Molecular weight
- 287.31
Names & synonyms
1330763-23-94-tert-Butyl 5-ethyl 6-oxo-1,4-oxazepane-4,5-dicarboxylate6-OXO-[1,4]OXAZEPANE-4,5-DICARBOXYLIC ACID 4-TERT-BUTYL ESTER 5-ETHYL ESTERMFCD202305724-O-tert-butyl 5-O-ethyl 6-oxo-1,4-oxazepane-4,5-dicarboxylateEthyl 4-Boc-6-hydroxy-2,3,4,7-tetrahydro-1,4-oxazepine-5-carboxylateSY314581Ethyl 4-Boc-6-oxo-1,4-oxazepane-5-carboxylateF4693864-tert-Butyl 5-ethyl 6-oxo-14-oxazepane-45-dicarboxylate4-tert-Butyl5-ethyl6-oxo-1,4-oxazepane-4,5-dicarboxylateO4-tert-butyl O5-ethyl 6-oxo-1,4-oxazepane-4,5-dicarboxylate
Show more names
4-tert-Butyl 5-Ethyl 6-Oxo-[1,4]oxazepane-4,5-dicarboxylate6-Oxo-[1,4]Oxazepane-4,5-Dicarboxylic Acid 4-Tert-Butyl Ester 5-Ethyl Ester(WX618176)1,4-Oxazepine-4,5(5H)-dicarboxylic acid, tetrahydro-6-oxo-, 4-(1,1-dimethylethyl) 5-ethyl ester
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 392.2 · 392.2±42.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- pka
- 11.71 · 11.71±0.20(Predicted)
Chemistry & industry
Suppliers7 total
韶远科技（上海）有限公司4000665055 · [email protected]
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药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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