1-Boc-3-methylazetidine-3-carboxylic Acid - CAS 887591-62-0
Catalog: |
BB039192 |
Product Name: |
1-Boc-3-methylazetidine-3-carboxylic Acid |
CAS: |
887591-62-0 |
Synonyms: |
3-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-azetidinecarboxylic acid; 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid |
IUPAC Name: | 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid |
Description: | 1-Boc-3-methylazetidine-3-carboxylic Acid (CAS# 887591-62-0) is an intermediate used in the synthesis of azetidine-3-carboxylic acids via an improved gram-scale synthesis of protected 3-haloazetidines. |
Molecular Weight: | 215.25 |
Molecular Formula: | C10H17NO4 |
Canonical SMILES: | CC1(CN(C1)C(=O)OC(C)(C)C)C(=O)O |
InChI: | InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-5-10(4,6-11)7(12)13/h5-6H2,1-4H3,(H,12,13) |
InChI Key: | FNWBDXQPGAIDQH-UHFFFAOYSA-N |
MDL: | MFCD12406581 |
LogP: | 1.26590 |
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 |
CN-111269217-A | Pyrimidinamine compound, preparation method and application thereof | 20200407 |
CN-111269217-B | Pyrimidinamine compound, preparation method and application thereof | 20200407 |
WO-2021071806-A1 | Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
WO-2021030711-A1 | Alkynyl quinazoline compounds | 20190815 |
WO-2021000684-A1 | Compounds and methods of use thereof as antibacterial agents | 20190703 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.11575802 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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