Diethyl (Boc-amino)malonate - CAS 102831-44-7
Catalog: |
BB000955 |
Product Name: |
Diethyl (Boc-amino)malonate |
CAS: |
102831-44-7 |
Synonyms: |
diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate |
IUPAC Name: | diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate |
Description: | Diethyl (Boc-amino)malonate (CAS# 102831-44-7) is a compound useful in organic synthesis. |
Molecular Weight: | 275.30 |
Molecular Formula: | C12H21NO6 |
Canonical SMILES: | CCOC(=O)C(C(=O)OCC)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H21NO6/c1-6-17-9(14)8(10(15)18-7-2)13-11(16)19-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16) |
InChI Key: | ULRLHEXGRUWQLQ-UHFFFAOYSA-N |
Boiling Point: | 218 °C (lit.) |
Purity: | 95 % |
Density: | 1.079 g/mLat25 °C (lit.) |
Appearance: | Colourless oil |
MDL: | MFCD00239423 |
LogP: | 1.39680 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020002238-A1 | Compounds for the treatment of bovine or swine respiratory disease | 20180625 |
AU-2019296380-A1 | Compounds for the treatment of bovine or swine respiratory disease | 20180625 |
BR-112020026705-A2 | COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE | 20180625 |
EP-3810571-A1 | Compounds for the treatment of bovine or swine respiratory disease | 20180625 |
EP-3577118-A1 | Compounds for the treatment of hepatitis b virus infection | 20170202 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.13688739 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.13688739 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 90.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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