tert-butyl 3-Methyleneazetidine-1-carboxylate

• CAS: 934664-41-2
• Catalog Number: ACM934664412
• Category: Other Products
• Molecular Weight: 169.223
• Molecular Formula: C9H15NO2
• Synonyms: TERT-BUTYL 3-METHYLENEAZETIDINE-1-CARBOXYLATE, 934664-41-2, 1-Boc-3-methylideneazetidine, tert-butyl 3-methylideneazetidine-1-carboxylate, SureCN1488353, CTK8B8497, ANW-60460, AKOS006316676, PB19228, RP09441, AK-99886, AM804576, AB1011612, KB-260482, FT-0684721, C-8475, 1,1-DIMETHYLETHYL 3-METHYLIDENEAZETIDINE-1-CARBOXYLATE, 1-AZETIDINECARBOXYLIC ACID, 3-METHYLENE-, 1,1-DIMETHYLETHYL ESTER
• IUPAC Name: tert-butyl 3-methylideneazetidine-1-carboxylate
• Canonical SMILES: CC(C)(C)OC(=O)N1CC(=C)C1
• InChI Key: MECAHFSQQZQZOI-UHFFFAOYSA-N
• Exact Mass: 169.11000
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of tert-butyl 3-Methyleneazetidine-1-carboxylate?

The molecular formula is C9H15NO2.

What is the molecular weight of tert-butyl 3-Methyleneazetidine-1-carboxylate?

The molecular weight is 169.22 g/mol.

What is the IUPAC name of tert-butyl 3-Methyleneazetidine-1-carboxylate?

The IUPAC name is tert-butyl 3-methylideneazetidine-1-carboxylate.

What is the InChI of tert-butyl 3-Methyleneazetidine-1-carboxylate?

The InChI is InChI=1S/C9H15NO2/c1-7-5-10(6-7)8(11)12-9(2,3)4/h1,5-6H2,2-4H3.

What is the InChIKey of tert-butyl 3-Methyleneazetidine-1-carboxylate?

The InChIKey is MECAHFSQQZQZOI-UHFFFAOYSA-N.

What is the canonical SMILES of tert-butyl 3-Methyleneazetidine-1-carboxylate?

The canonical SMILES is CC(C)(C)OC(=O)N1CC(=C)C1.

What is the CAS number of tert-butyl 3-Methyleneazetidine-1-carboxylate?

The CAS number is 934664-41-2.

What is the European Community (EC) Number of tert-butyl 3-Methyleneazetidine-1-carboxylate?

The European Community (EC) Number is 807-741-6.

What is the XLogP3-AA value of tert-butyl 3-Methyleneazetidine-1-carboxylate?

The XLogP3-AA value is 1.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 398489-26-4
• 1779-49-3

• 934664-41-2

Reference: [1] Patent: WO2007/44515, 2007, A1, . Location in patent: Page/Page column 175

Upstream Synthesis Route 2

• 398489-26-4

• 934664-41-2

Reference: [1] Patent: CN103709085, 2016, B, . Location in patent: Paragraph 0293-0295

Upstream Synthesis Route 3

• 398489-26-4
• 1779-49-3

• 934664-41-2

Reference: [1]Patent: WO2007/44515,2007,A1 .Location in patent: Page/Page column 175

Downstream Synthesis Route 1

• 934664-41-2

• 142253-56-3

Reference: [1] Patent: CN103709085, 2016, B, . Location in patent: Paragraph 0296-0298

Downstream Synthesis Route 2

• 934664-41-2
• 937-14-4

• 934664-42-3

Reference: [1]Patent: WO2007/44515,2007,A1 .Location in patent: Page/Page column 175

Downstream Synthesis Route 3

• 934664-41-2

• 934664-42-3

Reference: [1]Patent: WO2008/76415,2008,A1 .Location in patent: Page/Page column 340

* For details of the synthesis route, please refer to the original source to ensure accuracy.