Basic information
- CAS
147961-55-5- Standard SMILES
CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@@H]1C(C)C- InChIKey
WUJMQRANTBDPAP-HUUCEWRRSA-N- Molecular formula
- C19H33NO5
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.23587315
Names & identifiers
- Preferred name
- tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate
- IUPAC
- tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate
- English name
- 3-(S)-(4-(S)-Isopropyl-2-oxo-oxazolidine-3-carbonyl)-octanoic acid tert-butyl ester
- Molecular formula
- C19H33NO5
- Molecular weight
- 355.47
Names & synonyms
147961-55-5tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate3-(S)-(4-(S)-ISOPROPYL-2-OXO-OXAZOLIDINE-3-CARBONYL)-OCTANOIC ACID TERT-BUTYL ESTERWUJMQRANTBDPAP-HUUCEWRRSA-NSCHEMBL8218743DTXSID30463568[S-(R*,S*)]-4-(1-Methylethyl)-|A,2-dioxo-|A-pentyl-3-oxazolidinebutanoic Acid 1,1-Dimethylethyl Ester4-(S)-Isopropyl-3-[2-(R)-tert-butoxycarbonylmethyl-1-oxoheptyl)-2-oxazolidinonetert-Butyl (3R)-3-[(4S)-2-oxo-4-(propan-2-yl)-1,3-oxazolidine-3-carbonyl]octanoate(4S)-4-isopropyl-3--2-oxazolidinone[S-(R*,S*)]-4-(1-Methylethyl)-γ,2-dioxo-β-pentyl-3-oxazolidinebutanoic Acid 1,1-DiMethylethyl Ester3-Oxazolidinebutanoic acid, 4-(1-methylethyl)-γ,2-dioxo-β-pentyl-, 1,1-dimethylethyl ester, [S-(R*,S*)]- (9CI)
Database identifiers
- CAS
147961-55-5- PubChem CID
- 11360239
- DTXSID
DTXSID30463568
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 466.1 · 466.1±28.0 °C(Predicted)
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate, Methanol
- pka
- -2.43 · -2.43±0.40(Predicted)
- form
- Solid
- color
- Light-Yellow
Chemistry & industry
Applications
Uses3-(S)-(4-(S)-Isopropyl-2-oxo-oxazolidine-3-carbonyl)-octanoic Acid tert-Butyl Ester (cas# 147961-55-5) is a compound useful in organic synthesis.
Suppliers6 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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