2-[(2-Methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylic Acid - CAS 1330763-18-2
Catalog: |
BB059526 |
Product Name: |
2-[(2-Methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylic Acid |
CAS: |
1330763-18-2 |
Synonyms: |
1,4:3,6-Dianhydro-D-glucitol; Furo[3,2-b]furan, D-glucitol derivative; (+)-D-Isosorbide; 1,4:3,6-Dianhydro-D-sorbitol; 1,4:3,6-Dianhydrosorbitol; AT 101; Addolink 0312; Devicoran; Hydronol; Ismotic; Isobide; Isosorbide; Isosorbitol; NSC 40725; Novosorb P; Polysorb; Polysorb P; Polysorb PB; Polysorb PBA; Polysorb PS |
IUPAC Name: | 5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid |
Description: | 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylic acid(cas# 1330763-18-2) is a useful reagent in the synthesis of 5- tertbutyloxycarbonyl- 2- oxa- 5- diazabicyclo[2.2.1] heptane- 1- carboxylic acid. |
Molecular Weight: | 243.25 |
Molecular Formula: | C11H17NO5 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2(CC1CO2)C(=O)O |
InChI: | InChI=1S/C11H17NO5/c1-10(2,3)17-9(15)12-6-11(8(13)14)4-7(12)5-16-11/h7H,4-6H2,1-3H3,(H,13,14) |
InChI Key: | GJLSXXFQRXNEFA-UHFFFAOYSA-N |
References: | Liu, Y., et al. From Faming Zhuanli Shenqing (2016), CN 105503891 A 20160420. |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.11067264 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.11067264 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.1Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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