Di-tert-butyl acetylenedicarboxylate - CAS 66086-33-7
Catalog: |
BB032906 |
Product Name: |
Di-tert-butyl acetylenedicarboxylate |
CAS: |
66086-33-7 |
Synonyms: |
ditert-butyl but-2-ynedioate |
IUPAC Name: | ditert-butyl but-2-ynedioate |
Description: | Di-tert-butyl acetylenedicarboxylate (CAS# 66086-33-7 ) is a useful research chemical. |
Molecular Weight: | 226.27 |
Molecular Formula: | C12H18O4 |
Canonical SMILES: | CC(C)(C)OC(=O)C#CC(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H18O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h1-6H3 |
InChI Key: | FBCRUXRGQFLOMC-UHFFFAOYSA-N |
Boiling Point: | 80-82 °C / 0.05 mmHg (lit.) |
Density: | 1.042 g/cm3 |
MDL: | MFCD00008808 |
LogP: | 1.67320 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111072596-A | Preparation method of piperazine compound | 20191226 |
WO-2019232778-A1 | Curable silicone composition | 20180608 |
EP-3817914-A1 | Curable silicone composition | 20180608 |
KR-20200023448-A | Additive Organopolysiloxane Compositions, Curable Compositions, and Films | 20180112 |
TW-201930477-A | Additive organopolyoxane composition, curable composition, and film | 20180112 |
PMID | Publication Date | Title | Journal |
20148212 | 20100227 | Reactions of alkynes with phosphido niobocenes: a combined experimental and theoretical study | Dalton transactions (Cambridge, England : 2003) |
21202843 | 20080607 | tert-Butyl 6-benzoyl-5-hydr-oxy-2-oxo-2H-chromene-4-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
15079832 | 20040419 | A mechanically interlocked bundle | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.12050905 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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